1-Hexadecanol (C16H34O)

View large 3D structure

BMRB entry bmse000487

Entry DOI: doi:10.13018/BMSE000487
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000487.str

NMR-STAR

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Structure file (mol/sdf):

bmse000487.mol

All files for

bmse000487

Time Domain Data:

bmse000487.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
C9C232.395
C8C330.155
C10C429.905
C7C529.829
C11C632.395
C6C730.155
C12C829.905
C5C929.829
C13C1032.395
C4C1130.155
C14C1226.208
C3C1329.905
C15C1433.280
C2C1523.161
C16C1663.562
C1C1714.586
H35H181.253
H36H191.253
H33H201.253
H34H211.253
H37H221.253
H38H231.253
H31H241.253
H32H251.253
H39H261.253
H40H271.253
H29H281.253
H30H291.253
H41H301.253
H42H311.253
H27H321.253
H28H331.253
H43H341.253
H44H351.253
H25H361.253
H26H371.253
H45H381.253
H46H391.253
H23H401.253
H24H411.253
H47H421.563
H48H431.563
H21H441.253
H22H451.253
H49H463.635
H50H473.635
H20H480.877
H18H490.877
H19H500.877

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: bmse000487_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: bmse000487_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: bmse000487_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: bmse000487_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: bmse000487_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: bmse000487_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: bmse000487_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: bmse000487_8.zip