16-hydroxyhexadecanoic Acid (C16H32O3)

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BMRB entry bmse000700

Entry DOI: doi:10.13018/BMSE000700
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file:

bmse000700.str

NMR-STAR

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Structure file (mol/sdf):

bmse000700.mol

All files for

bmse000700

Time Domain Data:

bmse000700.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

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

Atom IDAuthor NomenclatureValueAmbiguity Code
C1C4331
C2C533.3674
C3C630.4804
C4C730.4254
C5C830.3344
C6C930.1584
C7C1029.9504
C8C1126.6894
C9C1233.3674
C10C1330.4804
C11C1430.4254
C12C1525.7821
C13C1630.3344
C14C1734.7741
C15C1862.3641
C16C19176.7491
H20H201.5214
H21H211.2914
H22H221.5214
H23H231.2914
H24H241.5214
H25H251.2914
H26H261.5214
H27H271.2914
H28H281.5214
H29H291.2914
H30H301.5214
H31H311.2914
H32H321.5214
H33H331.2914
H34H341.5214
H35H351.2914
H36H361.5214
H37H371.2914
H38H381.5214
H39H391.2914
H40H401.5214
H41H411.2914
H42H421.5941
H43H431.5941
H44H441.5214
H45H451.2914
H46H462.2411
H47H472.2411
H48H483.5181
H49H493.5181

NMR experiments

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

Array spectrum for 1
Download time domain data: bmse000700_1.zip

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

Array spectrum for 2
Download time domain data: bmse000700_2.zip

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

Array spectrum for 3
Download time domain data: bmse000700_3.zip

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

Array spectrum for 4
Download time domain data: bmse000700_4.zip

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

Array spectrum for 5
Download time domain data: bmse000700_5.zip

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

Array spectrum for 6
Download time domain data: bmse000700_6.zip

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

Array spectrum for 7
Download time domain data: bmse000700_7.zip

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

Array spectrum for 8
Download time domain data: bmse000700_8.zip