Myristicin (C11H12O3)

Myristicin bmse001264 - Data

View large 3D structure

BMRB entry bmse001264

Entry DOI: doi:10.13018/BMSE001264
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001264.str

NMR-STAR

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Structure file (mol/sdf):

bmse001264.mol

All files for

bmse001264

Time Domain Data:

bmse001264.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 10mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C1116.07881
C256.69741
C3137.56191
C440.44491
C5102.86714
C6107.74194
C7101.45751
C8134.81441
C9143.68411
C10133.63181
C11148.99551
H155.05962
H165.08912
H173.88031
H183.88031
H193.88031
H205.92961
H213.28981
H223.28981
H236.34354
H246.37734
H255.93381
H265.93381

NMR experiments

1: 1D 1H
Sample: 10mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001264_1.zip

2: 2D 1H-1H TOCSY
Sample: 10mg 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: bmse001264_2.zip

3: 1D 13C
Sample: 10mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001264_3.zip

4: 1D DEPT90
Sample: 10mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001264_4.zip

5: 1D DEPT135
Sample: 10mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001264_5.zip

6: 2D 1H-13C HSQC
Sample: 10mg 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: bmse001264_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 10mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001264_7.zip

8: 2D 1H-13C HMBC
Sample: 10mg 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: bmse001264_8.zip

9: 2D 1H-1H COSY
Sample: 10mg 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: bmse001264_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 10mg 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: bmse001264_10.zip