BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Alpha-pinene-oxide (C10H16O)

View large 3D structure

BMRB entry bmse000491

Entry DOI: doi:10.13018/BMSE000491
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000491.str
NMR-STAR interactive viewer
Mol file: bmse000491.mol
All files for bmse000491
Time Domain Data: bmse000491.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C7C245.0811
C10C360.3511
C9C440.5451
C6C539.7461
C8C656.9331
C4C725.8791
C5C827.6431
C3C922.4261
C1C1026.7232
C2C1120.1892
H26H121.9624
H25H131.7241
H27H143.0731
H21H151.9624
H22H161.6164
H23H171.9624
H24H181.6164
H18H191.3461
H20H201.3461
H19H211.3461
H14H221.2944
H12H230.9414
H13H241.2944
H15H250.9414
H17H261.2944
H16H270.9414

NMR experiments

1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 1
Download time domain data: bmse000491_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 2
Download time domain data: bmse000491_2.zip

3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 3
Download time domain data: bmse000491_3.zip

4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 4
Download time domain data: bmse000491_4.zip

5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 5
Download time domain data: bmse000491_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 6
Download time domain data: bmse000491_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 7
Download time domain data: bmse000491_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

 spectrum for 8
Download time domain data: bmse000491_8.zip