CN110161072A - A method of identification alkane and cycloalkane are composed based on three-dimensional NMR - Google Patents
A method of identification alkane and cycloalkane are composed based on three-dimensional NMR Download PDFInfo
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Abstract
The invention discloses a kind of methods for composing identification alkane and cycloalkane based on three-dimensional NMR.This method obtains the two-dimentional hydrogen-carbon Correlated Spectroscopy and three-dimensional HSQC-TOCSY spectrum of sample to be tested first, is then based on three-dimensional NMR spectrum and carries out full ownership to the spectral peak signal in two-dimentional hydrogen-carbon Correlated Spectroscopy.Spectral peak in sample to be tested two dimension hydrogen-carbon Correlated Spectroscopy is identified, is compared with other spectral peak carbon chemical shifts, by the hydrogen-hydrogen TOCSY signal and intensity, spectral peak hydrogen chemical shifts of Three Dimensional Spectrum acquisition, so that it is determined that signal to be identified belongs to alkane or cycloalkane.Advantage is: technically reliable, can effectively identify alkane and cycloalkane in organic mixture and lube base oil, avoids subjective factor and human error, and conclusion science is reliable.
Description
Technical field
The present invention relates to nuclear magnetic resonance spectroscopy detection and analysis methods, more particularly, to based on three-dimensional NMR spectrum mirror
Determine alkane and cycloalkane.
Background technique
In recent years, it deepening continuously to what lube base oil was studied with China and the continuous of oil quality requirement is mentioned
The development of height, lube base oil processing technology becomes more and more important.In order to adjust processing technology, product quality is improved, is needed
The hydro carbons of lube base oil is formed and be analyzed, and the separation of lube base oil paraffin and cycloalkane analysis is
The difficult point of Testing and appraisal.
Currently, the composition analysis of lube base oil is mainly completed by technologies such as mass spectrographies, the general energy of these technologies
It obtains the hydro carbons such as paraffinic hydrocarbons, cycloalkane, aromatic hydrocarbon composition but its branched structure information cannot be obtained, and nuclear magnetic resonance technique
Although the branched structure information of hydro carbons can be obtained, existing method cannot be distinguished lube base oil hydro carbons composition in it is main at
Divide alkane and cycloalkane.
Summary of the invention
It is an object of the present invention to provide a kind of methods for composing identification alkane and cycloalkane based on three-dimensional NMR, can incite somebody to action
Alkane and cycloalkane signal in organic compound mixture and lube base oil are identified, are lube base oil work
The further improvement of skill technology provides strong help.
The technical scheme is that realized by following committed step:
1) sample is packed into 5mm nuclear-magnetism sample cell, and sample cell is put into Bruker AVANCE 700MHz nuclear magnetic resonance
Spectrometer, experimental temperature selectable range are 298~318K, wait 5~10 minutes to make the temperature in sample reach balance.So
After acquire one-dimensional hydrogen spectrum, measure the pulse width that 90 degree pulsus durus of proton rush, while optimizing to the spectrum width of hydrogen.
2) acquire two-dimentional hydrogen-carbon Correlated Spectroscopy, the spectrum width of carbon advanced optimized, after optimization the spectrum width of carbon be 10~
50ppm, the spectrum width of hydrogen are 5~10ppm.
3) it is arranged for obtaining highly sensitive three-dimensional NMR spectrum experiment:
It imports compiled pulse train of the present invention: applying the 90 degree of pulsus durus punchings of a proton first, be delayed 0.5* delta time,
Then apply proton and the punching of X core 180 degree pulsus durus, then the 0.5* delta time that is delayed simultaneously, apply one 1~2.5 millisecond of proton arteries and veins
Punching.Then, while applying the 90 degree of pulsus durus punchings of proton and X core, be delayed 0.5*t1Time applies a proton 180 degree pulsus durus punching, then
Be delayed 0.5*t1After time, apply the gradient pulse GZ1SMSQ10.100 gradient field pulses that a system carries 1ms.Later, it applies
Add an X core 180 degree pulsus durus punching, be delayed after the δ time, while applying the 90 degree of pulsus durus punchings of proton and X core, be delayed 0.5* delta time,
Apply a proton 180 degree pulsus durus punching.Be delayed 0.5*t later2Time applies an X core 180 degree pulsus durus punching.Be delayed 0.5*t again2
After time, apply the TOCSY spin locking assembled pulse that a system carries proton, be then delayed δ, applies a proton 180
Pulsus durus punching is spent, applies the SMSQ10.100 gradient field pulses that a system carries 1ms later, then starts to sample, in sampling period
Between to X core carry out the decoupling of Garp assembled pulse.
The value that chemical shift and J coupling evolution time Δ is arranged is 1.4~2.1 milliseconds；t1Corresponding X nuclear chemistry is tieed up for F1
Displacement is developed the time, and initial value is 0.128 millisecond；t2It ties up corresponding chemical shift of proton for F2 to develop the time, initial value
It is 0.155 millisecond；The value that the time δ that develops is arranged is 1~2 millisecond；Setting TOCSY spin locking assembled pulse incorporation time 20~
150 milliseconds, three-dimensional sample points are respectively 400~1024,40~120 and 48~128, and scanning times 16~64, sky sweeps number
16~64, trace interval is 1~2 second, then starts to acquire NMR signal.
4) to abovementioned steps 3) data progress three dimensional fourier transform processing obtained, obtain three-dimensional NMR spectrum；
5) data processing software carried with nuclear magnetic resonance spectrometer analyzes to distinguish aforementioned two dimension and three-dimensional spectrum
Alkane and cycloalkane.Multiple signals of the carbon chemical shifts within the scope of 20~40ppm carry out two in two-dimentional hydrogen-carbon Correlated Spectroscopy
Two compare, if meeting the following conditions: the two carbon chemical shifts are equal；The two TOCSY signal hydrogen chemical shifts are identical and corresponding
TOCSY signal strength differences are within 20%；The two corresponds to hydrogen chemical shifts in two-dimentional hydrogen-carbon Correlated Spectroscopy, and at least one is big
Both in or equal to 1.55ppm, such two two-dimentional hydrogen-carbon phases, which are closed spectrum signal and can be determined, belongs to same cycloalkane, otherwise
It is not admitted to cycloalkane.
Detailed description of the invention
Fig. 1 is the folded spectrum of two-dimentional hydrogen-carbon Correlated Spectroscopy (left side) and three kinds of model compound mixtures of three kinds of model compounds
Two-dimentional hydrogen-carbon Correlated Spectroscopy (right side).
Fig. 2 is the three-dimensional HSQC-TOCSY spectrum of three kinds of model compound mixtures.
Fig. 3 is the two-dimension analysis spectrogram from Fig. 2.
Test sample is isopropyl cyclohexane, 1.5% (w/v, g/ml) ethyl cyclopentane, 6.6 of 2% (w/v, g/ml)
The chloroformic solution of deuteration of (w/v, g/ml) saualane and its mixture.
Fig. 1, Fig. 2, Fig. 3 correspond to embodiment 1.
Fig. 4 is the folded spectrum of two-dimentional hydrogen-carbon Correlated Spectroscopy (left side) and three kinds of model compound mixtures of three kinds of model compounds
Two-dimentional hydrogen-carbon Correlated Spectroscopy (right side).
Fig. 5 is the three-dimensional HSQC-TOCSY spectrum of three kinds of model compound mixtures.
Fig. 6 is the two-dimension analysis spectrogram from Fig. 5.
Test sample be the isopropyl cyclohexane of 2% (w/v, g/ml), 1.5% (w/v, g/ml) cetyl hexamethylene,
The chloroformic solution of deuteration of 2% (w/v, g/ml) saualane and its mixture.
Fig. 4, Fig. 5, Fig. 6 correspond to embodiment 2.
Fig. 7 is that the three-dimensional HSQC-TOCSY of lube base oil is composed.
Test sample is the chloroformic solution of deuteration of the lube base oil of 30% (w/v, g/ml) prerefining.
Fig. 7 corresponds to embodiment 3.
Specific embodiment
The specific embodiment of this technology is further illustrated below in conjunction with drawings and examples:
Embodiment 1: it is detected by taking the mixture of three kinds of model compounds as an example of the present invention a kind of total based on three-dimensional nuclear-magnetism
The reasonability and universality of vibration spectrum identification alkane and cycloalkane method.
Alkane and cycloalkane mix ingredients are complicated, simple difficult by two-dimentional spectrum elucidation, therefore this example will
With the isopropyl cyclohexane of 2% (w/v, g/ml), 1.5% (w/v, g/ml) ethyl cyclopentane, 6.6% (w/v, g/ml) saualane
The reasonability and universality that the chloroformic solution of deuteration of mixture is detected as standard sample with method of proof.
A method of identification alkane and cycloalkane are composed based on three-dimensional NMR, the steps include:
1) sample is packed into 5mm nuclear-magnetism sample cell, and sample cell is put into Bruker AVANCE700MHz nuclear magnetic resoance spectrum
Instrument, experimental temperature selectable range are 298K, wait 10 minutes to make the temperature in sample reach balance.Then it acquires one-dimensional
Hydrogen spectrum, measures the pulse width of 90 degree of pulsus durus punching of proton, while optimizing to the spectrum width of hydrogen.
2) two-dimentional hydrogen-carbon Correlated Spectroscopy is acquired, the spectrum width of carbon is advanced optimized, the spectrum width of carbon is 20ppm after optimization,
The spectrum width of hydrogen is 4ppm, and experiment spectrogram is shown in Fig. 1.
3) it is arranged for obtaining highly sensitive three-dimensional NMR spectrum experiment:
Import compiled inventor's invention pulse train: the value of setting chemical shift and J coupling evolution time Δ is 1.8
Millisecond；t1It ties up corresponding X coring displacement study for F1 to develop the time, initial value is 0.128 millisecond；t2Corresponding proton is tieed up for F2
Chemical shift evolution time, initial value are 0.155 millisecond；The value that the time δ that develops is arranged is 1.2 milliseconds；TOCSY is arranged to spin
80 milliseconds of assembled pulse incorporation time of locking, the power of first SMSQ10.100 gradient field pulses are 90 degree of pulsus durus punchings
80%, the power of second SMSQ10.100 gradient field pulses is that the 20%. three-dimensional samples points of 90 degree of pulsus durus punchings are respectively 400
(F3), 80 (F2) and 80 (F1), scanning times 16, sky sweep number 64, and trace interval is 1 second；Then start to acquire nuclear-magnetism
Resonance signal carries out the decoupling of Garp assembled pulse to X core in sampling period.
4) time-domain signal collected progress three dimensional fourier transform is obtained into three-dimensional HSQC-TOCSY nuclear magnetic resoance spectrum, adjusted
The phase of whole three-dimensional is pure absorption lineshape.Experiment spectrogram is shown in Fig. 2.
5) data processing software carried with nuclear magnetic resonance spectrometer divides the aforementioned two dimension of combination series with three-dimensional spectrum
To distinguish alkane and cycloalkane, analysis map is shown in Fig. 3 for analysis.
As shown in figure 3, having from the nuclear magnetic signal of the three-dimensional HSQC-TOCSY ethyl cyclopentane composed and saualane bright
Show different features: the corresponding carbon chemical shifts of TOCSY signal of two groups of left side ethyl cyclopentane are 32.8ppm, and the right
The corresponding carbon chemical shifts of TOCSY signal of two groups of saualanes are 37.4ppm；As shown in dotted line horizontal in figure, ethyl cyclopentane
Seven spectral peaks of the TOCSY signal by chemical shift range in 0.8~1.8ppm form, and the TOCSY signal of saualane is by 0.8
Six spectral peaks of~1.6ppm form, thus by the difference of TOCSY signal can distinguish ethyl cyclopentane and saualane both
Different compounds；Corresponding to the hydrogen chemical shifts in two-dimentional hydrogen-carbon Correlated Spectroscopy, the ethyl cyclopentane shown in vertical dotted line in figure
Hydrogen chemical shifts are respectively 1.75ppm and 1.08ppm, and two hydrogen chemical shifts shown in the vertical dotted line of saualane are respectively
1.28ppm and 1.09ppm.
According to the criterion for distinguishing cycloalkane and alkane: carbon chemical shifts are in 20~40ppm in two-dimentional hydrogen-carbon Correlated Spectroscopy
Two signals in range, if meeting the following conditions: the two carbon chemical shifts are equal；The two TOCSY signal hydrogen chemical shifts
Identical and corresponding TO CSY signal strength differences are within 20%；The two corresponds to hydrogen chemical shifts extremely in two-dimentional hydrogen-carbon Correlated Spectroscopy
Rare one is greater than or equal to 1.55ppm, and such two two-dimentional hydrogen-carbon phases, which are closed spectrum signal and can be determined, belongs to cycloalkane.It can
To determine that ethyl cyclopentane meets the standard of cycloalkane nuclear magnetic signal, and saualane does not meet the standard of cycloalkane nuclear magnetic signal.
This example demonstrates that a kind of designed by applicant compose identification alkane and cycloalkane based on three-dimensional NMR
The saualane that method can effectively identify the ethyl cyclopentane as cycloalkane representative and represent as alkane.
Embodiment 2: it is detected by taking the mixture of other three kinds of model compounds as an example of the present invention a kind of based on spatial nuclei
The reasonability and universality of magnetic resonance spectrum identification alkane and cycloalkane method.
This example is with the isopropyl cyclohexane of 2% (w/v, g/ml), 1.5% (w/v, g/ml) cetyl hexamethylene, 2%
The chloroformic solution of deuteration of (w/v, g/ml) saualane mixture is detected as standard sample.
1) sample is packed into 5mm nuclear-magnetism sample cell, and sample cell is put into Bruker AVANCE700MHz nuclear magnetic resoance spectrum
Instrument, experimental temperature selectable range are 298K, wait 10 minutes to make the temperature in sample reach balance.Then it acquires one-dimensional
Hydrogen spectrum, measures the pulse width of 90 degree of pulsus durus punching of proton, while optimizing to the spectrum width of hydrogen.
2) two-dimentional hydrogen-carbon Correlated Spectroscopy is acquired, the spectrum width of carbon is advanced optimized, the spectrum width of carbon is 20ppm after optimization,
The spectrum width of hydrogen is 4ppm, and experiment spectrogram is shown in Fig. 4.
3) it is arranged for obtaining highly sensitive three-dimensional NMR spectrum experiment:
Import compiled inventor's invention pulse train: the value of setting chemical shift and J coupling evolution time Δ is 1.8
Millisecond；t1It ties up corresponding X coring displacement study for F1 to develop the time, initial value is 0.128 millisecond；t2Corresponding proton is tieed up for F2
Chemical shift evolution time, initial value are 0.155 millisecond；The value that the time δ that develops is arranged is 1.2 milliseconds；TOCSY is arranged to spin
80 milliseconds of assembled pulse incorporation time of locking, the power of first SMSQ10.100 gradient field pulses are 90 degree of pulsus durus punchings
80%, the power of second SMSQ10.100 gradient field pulses is that the 20%. three-dimensional samples points of 90 degree of pulsus durus punchings are respectively 400
(F3), 80 (F2) and 80 (F1), scanning times 16, sky sweep number 64, and trace interval is 1 second；Then start to acquire nuclear-magnetism
Resonance signal carries out the decoupling of Garp assembled pulse to X core in sampling period.
4) time-domain signal collected progress three dimensional fourier transform is obtained into three-dimensional HSQC-TOCSY nuclear magnetic resoance spectrum, adjusted
The phase of whole three-dimensional is pure absorption lineshape.Experiment spectrogram is shown in Fig. 5.
5) data processing software carried with nuclear magnetic resonance spectrometer divides the aforementioned two dimension of combination series with three-dimensional spectrum
To distinguish alkane and cycloalkane, analysis map is shown in Fig. 6 for analysis.
As shown in fig. 6, having from the nuclear magnetic signal of the three-dimensional HSQC-TOCSY isopropyl cyclohexane composed and saualane
Significantly different feature: the corresponding carbon chemical shifts of TOCSY signal of two groups of left side isopropyl cyclohexane are 30.0ppm, and
The corresponding carbon chemical shifts of TOCSY signal of two groups of the right saualane are 37.4ppm；As shown in dotted line horizontal in figure, isopropyl
Eight spectral peaks of the TOCSY signal of hexamethylene by chemical shift range in 0.8~1.8ppm form, and the TOCSY of saualane believes
It number is made of six spectral peaks of 0.8~1.6ppm, therefore isopropyl cyclohexane and spiny dogfish can be distinguished by the difference of TOCSY signal
Both different compounds of alkane；It is different shown in vertical dotted line in figure corresponding to the hydrogen chemical shifts in two-dimentional hydrogen-carbon Correlated Spectroscopy
Propyl cyclohexane hydrogen chemical shifts are respectively 1.68ppm and 0.93ppm, and two hydrogenation degrees shown in the vertical dotted line of saualane
Moving is respectively 1.28ppm and 1.09ppm.
According to the criterion for distinguishing cycloalkane and alkane: carbon chemical shifts are in 20~40ppm in two-dimentional hydrogen-carbon Correlated Spectroscopy
Two signals in range, if meeting the following conditions: the two carbon chemical shifts are equal；The two TOCSY signal hydrogen chemical shifts
Identical and corresponding TO CSY signal strength differences are within 20%；The two corresponds to hydrogen chemical shifts extremely in two-dimentional hydrogen-carbon Correlated Spectroscopy
Rare one is greater than or equal to 1.55ppm, and such two two-dimentional hydrogen-carbon phases, which are closed spectrum signal and can be determined, belongs to cycloalkane.It can
To determine that isopropyl cyclohexane meets the standard of cycloalkane nuclear magnetic signal, and saualane does not meet the mark of cycloalkane nuclear magnetic signal
It is quasi-.
Embodiment 3: to detect of the present invention one for 30% (w/v, g/ml) prerefining lube base oil
Kind composes the reasonability and universality of identification alkane and cycloalkane method based on three-dimensional NMR.
1) sample is packed into 5mm nuclear-magnetism sample cell, and sample cell is put into Bruker AVANCE700MHz nuclear magnetic resoance spectrum
Instrument, experimental temperature selectable range are 298K, wait 10 minutes to make the temperature in sample reach balance.Then it acquires one-dimensional
Hydrogen spectrum, measures the pulse width of 90 degree of pulsus durus punching of proton, while optimizing to the spectrum width of hydrogen.
2) two-dimentional hydrogen-carbon Correlated Spectroscopy is acquired, the spectrum width of carbon is advanced optimized, the spectrum width of carbon is 20ppm after optimization,
The spectrum width of hydrogen is 4ppm.
3) it is arranged for obtaining highly sensitive three-dimensional NMR spectrum experiment:
Import compiled inventor's invention pulse train: the value of setting chemical shift and J coupling evolution time Δ is 1.8
Millisecond；t1It ties up corresponding X coring displacement study for F1 to develop the time, initial value is 0.128 millisecond；t2Corresponding proton is tieed up for F2
Chemical shift evolution time, initial value are 0.155 millisecond；The value that the time δ that develops is arranged is 1.2 milliseconds；TOCSY is arranged to spin
80 milliseconds of assembled pulse incorporation time of locking, the power of first SMSQ10.100 gradient field pulses are 90 degree of pulsus durus punchings
80%, the power of second SMSQ10.100 gradient field pulses is that the 20%. three-dimensional samples points of 90 degree of pulsus durus punchings are respectively 400
(F3), 80 (F2) and 80 (F1), scanning times 16, sky sweep number 64, and trace interval is 1 second；Then start to acquire nuclear-magnetism
Resonance signal carries out the decoupling of Garp assembled pulse to X core in sampling period.
4) time-domain signal collected progress three dimensional fourier transform is obtained into three-dimensional HSQC-TOCSY nuclear magnetic resoance spectrum, adjusted
The phase of whole three-dimensional is pure absorption lineshape.Experiment spectrogram is shown in Fig. 7.
5) data processing software carried with nuclear magnetic resonance spectrometer divides the aforementioned two dimension of combination series with three-dimensional spectrum
Analysis is to distinguish alkane and cycloalkane.
The above, only present pre-ferred embodiments, the range that the present invention that therefore, it cannot be limited according to is implemented, i.e. Yi Benfa
Equivalent changes and modifications made by bright the scope of the patents and description, should still be within the scope of the present invention.
Claims (7)
1. a kind of method for composing identification alkane and cycloalkane based on three-dimensional NMR, which is characterized in that under this method includes
Column step:
1) sample is packed into 5mm nuclear-magnetism sample cell, and sample cell is put into Bruker AVANCE 700MHz nuclear magnetic resonance spectrometer,
Experimental temperature selectable range is 298~318K, waits 5~10 minutes to make the temperature in sample reach balance；Then it adopts
Collect one-dimensional hydrogen spectrum, measure the pulse width of 90 degree of pulsus durus punching of proton, while the spectrum width of hydrogen is optimized；
2) two-dimentional hydrogen-carbon Correlated Spectroscopy is acquired, the spectrum width of carbon is advanced optimized, the spectrum width of carbon is 10~50ppm after optimization,
The spectrum width of hydrogen is 5~10ppm；
3) it is arranged for obtaining highly sensitive three-dimensional NMR spectrum experiment:
It imports compiled pulse train: applying the 90 degree of pulsus durus punchings of a proton first, be delayed 0.5* delta time, then applies simultaneously
Protonation and the punching of X core 180 degree pulsus durus, then the 0.5* delta time that is delayed apply one 1~2.5 millisecond of proton pulsus durus punching；Then,
Apply the 90 degree of pulsus durus punchings of proton and X core simultaneously, be delayed 0.5*t1Time applies a proton 180 degree pulsus durus punching, then the 0.5* that is delayed
t1After time, apply the gradient field pulses that a system carries 1~2ms；Later, apply an X core 180 degree pulsus durus punching, be delayed δ
After time, while applying the 90 degree of pulsus durus punchings of proton and X core, be delayed 0.5* delta time, applies a proton 180 degree pulsus durus punching；It
After be delayed 0.5*t2Time applies an X core 180 degree pulsus durus punching；Be delayed 0.5*t again2After time, applies a system and carry matter
The TOCSY spin locking assembled pulse of son, be then delayed δ, applies a proton 180 degree pulsus durus punching, applies a system later
The SMSQ10.100 gradient field pulses of included 1~2ms；
The value that chemical shift and J coupling evolution time Δ is arranged is 1.4~2.1 milliseconds；t1Corresponding X coring displacement study is tieed up for F1
Develop the time, initial value is 0.128 millisecond；t2It ties up corresponding chemical shift of proton for F2 to develop the time, initial value is
0.155 millisecond；The value that the time δ that develops is arranged is 1~2 millisecond；Setting TOCSY spin locking assembled pulse incorporation time 20~
150 milliseconds, three-dimensional sample points are respectively 400~1024,40~120 and 48~128, and scanning times 16~64, sky sweeps number
16~64, trace interval is 1~2 second, then starts to acquire NMR signal；
4) to abovementioned steps 3) data progress three dimensional fourier transform processing obtained, obtain three-dimensional NMR spectrum；
5) data processing software carried with nuclear magnetic resonance spectrometer analyzes to distinguish alkane aforementioned two dimension with three-dimensional spectrum
Hydrocarbon and cycloalkane.All signals of the carbon chemical shifts within the scope of 20~40ppm are compared two-by-two in two-dimentional hydrogen-carbon Correlated Spectroscopy
Compared with if meeting following necessary condition: the two carbon chemical shifts are equal；The two TOCSY signal hydrogen chemical shifts are identical and corresponding
TOCSY signal strength differences are within 20%；The two corresponds to hydrogen chemical shifts in two-dimentional hydrogen-carbon Correlated Spectroscopy, and at least one is big
In or equal to 1.55ppm, such two two-dimentional hydrogen-carbon phases, which are closed spectrum signal and can be determined, belongs to same cycloalkane；With two-dimentional hydrogen-
Other all signals of carbon chemical shifts within the scope of 20~40ppm compare the signal for not complying with above-mentioned condition in carbon Correlated Spectroscopy
It can determine and belong to alkane signal.
2. the method according to claim 1 for composing identification alkane and cycloalkane based on three-dimensional NMR, feature exist
In: using isopropyl cyclohexane, ethyl cyclopentane, saualane as model compound, Spectral Signal area can be carried out by the method
Point.
3. the method according to claim 1 for composing identification alkane and cycloalkane based on three-dimensional NMR, feature exist
In: using isopropyl cyclohexane, cetyl thiacyclohexane, saualane as model compound, spectrogram letter can be carried out by the method
Number distinguish.
4. the method according to claim 1 for composing identification alkane and cycloalkane based on three-dimensional NMR, feature exist
In: it can effectively distinguish the alkane and cycloalkane in organic compound mixture.
5. the method according to claim 1 for composing identification alkane and cycloalkane based on three-dimensional NMR, feature exist
In: can effective district divide alkane and cycloalkane in lube base oil.
6. the method according to claim 1 for composing identification alkane and cycloalkane based on three-dimensional NMR, feature exist
In: nuclear magnetic resonance spectrometer is Bruker AVANCE 700MHz nuclear magnetic resonance spectrometer.
7. the method according to claim 1 or 6 for composing identification alkane and cycloalkane based on three-dimensional NMR, feature
Be: the included gradient pulse of system is GZ1SMSQ10.100 gradient field pulses.
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| CN112577987A (en) * | 2019-09-27 | 2021-03-30 | 中国石油化工股份有限公司 | Molecular structure characterization method of lubricating oil base oil and optimization method of lubricating oil base oil |
| CN114878621A (en) * | 2022-04-25 | 2022-08-09 | 北京大学 | Method for quantitatively evaluating structure of protein drug based on high-field nuclear magnetic resonance technology |
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