Dodecanoic Acid (C12H24O2)

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:

NMR-STAR

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Structure file (mol/sdf):

All files for

bmse000509

Time Domain Data:

Sample and instrument details are given with the spectrum

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

Atom ID	Author Nomenclature	Value	Ambiguity Code
C6	C3	31.905	4
C7	C4	29.594	4
C5	C5	29.429	4
C8	C6	29.331	4
C4	C7	29.239	4
C9	C8	29.054	4
C3	C9	31.905	4
C10	C10	24.668	1
C2	C11	22.685	1
C11	C12	34.052	1
C1	C13	14.118	1
C12	C14	180.151	1
H26	H15	1.260	4
H27	H16	1.260	4
H28	H17	1.260	4
H29	H18	1.260	4
H24	H19	1.260	4
H25	H20	1.260	4
H30	H21	1.260	4
H31	H22	1.260	4
H22	H23	1.260	4
H23	H24	1.260	4
H32	H25	1.260	4
H33	H26	1.260	4
H20	H27	1.260	4
H21	H28	1.260	4
H34	H29	1.631	1
H35	H30	1.631	1
H18	H31	1.260	4
H19	H32	1.260	4
H36	H33	2.348	1
H37	H34	2.348	1
H17	H35	0.880	1
H15	H36	0.880	1
H16	H37	0.880	1

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

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

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

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

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

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

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

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

Download time domain data: bmse000509_8.zip