1-Hexadecanol (C16H34O)

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:

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Structure file (mol/sdf):

All files for

bmse000487

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 - 500MHz

Atom ID	Author Nomenclature	Value
C9	C2	32.395
C8	C3	30.155
C10	C4	29.905
C7	C5	29.829
C11	C6	32.395
C6	C7	30.155
C12	C8	29.905
C5	C9	29.829
C13	C10	32.395
C4	C11	30.155
C14	C12	26.208
C3	C13	29.905
C15	C14	33.280
C2	C15	23.161
C16	C16	63.562
C1	C17	14.586
H35	H18	1.253
H36	H19	1.253
H33	H20	1.253
H34	H21	1.253
H37	H22	1.253
H38	H23	1.253
H31	H24	1.253
H32	H25	1.253
H39	H26	1.253
H40	H27	1.253
H29	H28	1.253
H30	H29	1.253
H41	H30	1.253
H42	H31	1.253
H27	H32	1.253
H28	H33	1.253
H43	H34	1.253
H44	H35	1.253
H25	H36	1.253
H26	H37	1.253
H45	H38	1.253
H46	H39	1.253
H23	H40	1.253
H24	H41	1.253
H47	H42	1.563
H48	H43	1.563
H21	H44	1.253
H22	H45	1.253
H49	H46	3.635
H50	H47	3.635
H20	H48	0.877
H18	H49	0.877
H19	H50	0.877

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

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

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

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

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

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

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

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

Download time domain data: bmse000487_8.zip