Myristic Acid (C14H28O2)

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BMRB entry bmse000737

Entry DOI: doi:10.13018/BMSE000737
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file:

bmse000737.str

NMR-STAR

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Structure file (mol/sdf):

bmse000737.mol

All files for

bmse000737

Time Domain Data:

bmse000737.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
C7C331.9294
C7C329.6814
C7C329.6524
C7C329.6014
C7C329.4424
C7C329.374
C7C329.2524
C7C329.064
C7C322.7074
C8C431.9294
C8C429.6814
C8C429.6524
C8C429.6014
C8C429.4424
C8C429.374
C8C429.2524
C8C429.064
C8C422.7074
C6C531.9294
C6C529.6814
C6C529.6524
C6C529.6014
C6C529.4424
C6C529.374
C6C529.2524
C6C529.064
C6C522.7074
C9C631.9294
C9C629.6814
C9C629.6524
C9C629.6014
C9C629.4424
C9C629.374
C9C629.2524
C9C629.064
C9C622.7074
C5C731.9294
C5C729.6814
C5C729.6524
C5C729.6014
C5C729.4424
C5C729.374
C5C729.2524
C5C729.064
C5C722.7074
C10C831.9294
C10C829.6814
C10C829.6524
C10C829.6014
C10C829.4424
C10C829.374
C10C829.2524
C10C829.064
C10C822.7074
C4C931.9294
C4C929.6814
C4C929.6524
C4C929.6014
C4C929.4424
C4C929.374
C4C929.2524
C4C929.064
C4C922.7074
C11C1031.9294
C11C1029.6814
C11C1029.6524
C11C1029.6014
C11C1029.4424
C11C1029.374
C11C1029.2524
C11C1029.064
C11C1022.7074
C3C1131.9294
C3C1129.6814
C3C1129.6524
C3C1129.6014
C3C1129.4424
C3C1129.374
C3C1129.2524
C3C1129.064
C3C1122.7074
C12C1224.6711
C2C1331.9294
C2C1329.6814
C2C1329.6524
C2C1329.6014
C2C1329.4424
C2C1329.374
C2C1329.2524
C2C1329.064
C2C1322.7074
C13C1434.0611
C1C1514.1431
C14C16180.2171
H30H171.2554
H31H181.2554
H32H191.2554
H33H201.2554
H28H211.2554
H29H221.2554
H34H231.2554
H35H241.2554
H26H251.2554
H27H261.2554
H36H271.2554
H37H281.2554
H24H291.2554
H25H301.2554
H38H311.2554
H39H321.2554
H22H331.2554
H23H341.2554
H40H351.6311
H41H361.6311
H20H371.2554
H21H381.2554
H42H392.3491
H43H402.3491
H19H410.881
H17H420.881
H18H430.881

NMR experiments

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

Array spectrum for 1
Download time domain data: bmse000737_1.zip

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

Array spectrum for 2
Download time domain data: bmse000737_2.zip

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

Array spectrum for 3
Download time domain data: bmse000737_3.zip

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

Array spectrum for 4
Download time domain data: bmse000737_4.zip

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

Array spectrum for 5
Download time domain data: bmse000737_5.zip

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

Array spectrum for 6
Download time domain data: bmse000737_6.zip

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

Array spectrum for 7
Download time domain data: bmse000737_7.zip

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

Array spectrum for 8
Download time domain data: bmse000737_8.zip