BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Terpinolene (C10H16)

View large 3D structure

BMRB entry bmse000504

Entry DOI: doi:10.13018/BMSE000504
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000504.str
NMR-STAR interactive viewer
Mol file: bmse000504.mol
All files for bmse000504
Time Domain Data: bmse000504.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 - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C7C126.6041
C10C2127.5811
C5C331.4341
C6C429.5061
C9C5134.2381
C4C6120.7641
C8C7121.7261
C3C823.4291
C1C920.1952
C2C1019.7252
H25H112.3201
H26H122.3201
H21H131.9941
H22H141.9941
H23H152.7361
H24H162.7361
H20H175.3741
H17H181.6941
H18H191.6941
H19H201.6941
H11H211.6591
H12H221.6591
H13H231.6591
H14H241.6591
H15H251.6591
H16H261.6591

NMR experiments

1: 1D 1H
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 1
Download time domain data: bmse000504_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 2
Download time domain data: bmse000504_2.zip

3: 1D 13C
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 3
Download time domain data: bmse000504_3.zip

4: 1D DEPT90
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 4
Download time domain data: bmse000504_4.zip

5: 1D DEPT135
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 5
Download time domain data: bmse000504_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 6
Download time domain data: bmse000504_6.zip

7: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 7
Download time domain data: bmse000504_7.zip