Benzyl-dimethyl-tetradecylazanium Chloride (C23H42ClN)

Benzyl-dimethyl-tetradecylazanium Chloride bmse001199 - Data

View large 3D structure

BMRB entry bmse001199

Entry DOI: doi:10.13018/BMSE001199
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse001199.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse001199.mol

All files for

bmse001199

Time Domain Data:

bmse001199.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C2163.49971
C1822.66954
C2267.21141
C1422.66954
C249.56631
C349.56631
C1322.66954
C1222.66954
C1126.21784
C23127.4271
C1029.07614
C929.2244
C822.66954
C722.66954
C622.66954
C19129.20091
C20129.20091
C531.73731
C16133.24611
C17133.24611
C422.91591
C15130.68931
C114.14381
H633.5141
H643.5141
H591.25224
H601.28324
H655.08251
H665.08251
H541.33394
H551.33964
H283.3281
H293.3281
H303.3281
H313.3281
H323.3281
H333.3281
H521.25224
H531.25224
H501.25224
H511.25224
H481.25224
H491.25224
H461.25224
H471.25224
H441.25224
H451.25224
H421.25224
H431.25224
H401.25224
H411.25224
H381.25224
H391.25224
H617.47191
H627.47191
H361.27191
H371.27191
H571.80211
H581.80211
H347.66731
H357.66731
H567.44891
H260.8941
H270.8941
H250.8941

NMR experiments

1: 1D 1H
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001199_1.zip

2: 2D 1H-1H TOCSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001199_2.zip

3: 1D 13C
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001199_3.zip

4: 1D DEPT90
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001199_4.zip

5: 1D DEPT135
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001199_5.zip

6: 2D 1H-13C HSQC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001199_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001199_7.zip

8: 2D 1H-13C HMBC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001199_8.zip

9: 2D 1H-1H COSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001199_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001199_10.zip