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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Dodecanoic Acid (C12H24O2)

View large 3D structure

BMRB entry bmse000509

Entry DOI: doi:10.13018/BMSE000509
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000509.str
NMR-STAR interactive viewer
Mol file: bmse000509.mol
All files for bmse000509
Time Domain Data: bmse000509.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
C6C331.9054
C7C429.5944
C5C529.4294
C8C629.3314
C4C729.2394
C9C829.0544
C3C931.9054
C10C1024.6681
C2C1122.6851
C11C1234.0521
C1C1314.1181
C12C14180.1511
H26H151.2604
H27H161.2604
H28H171.2604
H29H181.2604
H24H191.2604
H25H201.2604
H30H211.2604
H31H221.2604
H22H231.2604
H23H241.2604
H32H251.2604
H33H261.2604
H20H271.2604
H21H281.2604
H34H291.6311
H35H301.6311
H18H311.2604
H19H321.2604
H36H332.3481
H37H342.3481
H17H350.8801
H15H360.8801
H16H370.8801

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: bmse000509_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: bmse000509_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: bmse000509_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: bmse000509_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: bmse000509_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: bmse000509_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 7
Download time domain data: bmse000509_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 400MHz

 spectrum for 8
Download time domain data: bmse000509_8.zip