Nonadecane (C19H40)

Nonadecane bmse000764 - Data

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BMRB entry bmse000764

Entry DOI: doi:10.13018/BMSE000764
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file:

bmse000764.str

NMR-STAR

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Structure file (mol/sdf):

bmse000764.mol

All files for

bmse000764

Time Domain Data:

bmse000764.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom ID	Author Nomenclature	Value	Ambiguity Code
C19	C1	31.954	4
C19	C1	29.729	4
C19	C1	29.696	4
C19	C1	29.398	4
C17	C2	31.954	4
C17	C2	29.729	4
C17	C2	29.696	4
C17	C2	29.398	4
C18	C3	31.954	4
C18	C3	29.729	4
C18	C3	29.696	4
C18	C3	29.398	4
C15	C4	31.954	4
C15	C4	29.729	4
C15	C4	29.696	4
C15	C4	29.398	4
C16	C5	31.954	4
C16	C5	29.729	4
C16	C5	29.696	4
C16	C5	29.398	4
C13	C6	31.954	4
C13	C6	29.729	4
C13	C6	29.696	4
C13	C6	29.398	4
C14	C7	31.954	4
C14	C7	29.729	4
C14	C7	29.696	4
C14	C7	29.398	4
C11	C8	31.954	4
C11	C8	29.729	4
C11	C8	29.696	4
C11	C8	29.398	4
C12	C9	31.954	4
C12	C9	29.729	4
C12	C9	29.696	4
C12	C9	29.398	4
C9	C10	31.954	4
C9	C10	29.729	4
C9	C10	29.696	4
C9	C10	29.398	4
C10	C11	31.954	4
C10	C11	29.729	4
C10	C11	29.696	4
C10	C11	29.398	4
C7	C12	31.954	4
C7	C12	29.729	4
C7	C12	29.696	4
C7	C12	29.398	4
C8	C13	31.954	4
C8	C13	29.729	4
C8	C13	29.696	4
C8	C13	29.398	4
C5	C14	31.954	4
C5	C14	29.729	4
C5	C14	29.696	4
C5	C14	29.398	4
C6	C15	31.954	4
C6	C15	29.729	4
C6	C15	29.696	4
C6	C15	29.398	4
C3	C16	22.722	1
C4	C17	22.722	1
C1	C18	14.151	1
C2	C19	14.151	1
H58	H20	1.255	4
H59	H21	1.255	4
H54	H22	1.255	4
H55	H23	1.255	4
H56	H24	1.255	4
H57	H25	1.255	4
H50	H26	1.255	4
H51	H27	1.255	4
H52	H28	1.255	4
H53	H29	1.255	4
H46	H30	1.255	4
H47	H31	1.255	4
H48	H32	1.255	4
H49	H33	1.255	4
H42	H34	1.255	4
H43	H35	1.255	4
H44	H36	1.255	4
H45	H37	1.255	4
H38	H38	1.255	4
H39	H39	1.255	4
H40	H40	1.255	4
H41	H41	1.255	4
H34	H42	1.255	4
H35	H43	1.255	4
H36	H44	1.255	4
H37	H45	1.255	4
H30	H46	1.255	4
H31	H47	1.255	4
H32	H48	1.255	4
H33	H49	1.255	4
H26	H50	1.255	4
H27	H51	1.255	4
H28	H52	1.255	4
H29	H53	1.255	4
H22	H54	0.880	1
H20	H55	0.880	1
H21	H56	0.880	1
H23	H57	0.880	1
H24	H58	0.880	1
H25	H59	0.880	1

NMR experiments

1: 1D 1H
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000764_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY

Download time domain data: bmse000764_2.zip

3: 1D 13C
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000764_3.zip

4: 1D DEPT90
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000764_4.zip

5: 1D DEPT135
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000764_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #6: 2D [1H,13C]-HSQC

Download time domain data: bmse000764_6.zip

7: 2D [1H,13C]-HMBC
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #7: 2D [1H,13C]-HMBC

Download time domain data: bmse000764_7.zip

8: 2D [1H,1H]-COSY
Sample: 100mM in CDCl3, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Spectrum for experiment #8: 2D [1H,1H]-COSY

Download time domain data: bmse000764_8.zip