(Z)-octadec-11-enoic Acid (C18H34O2)
BMRB entry bmse001102
Entry DOI: doi:10.13018/BMSE001102
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse001102.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001102.molAll files for
bmse001102Time Domain Data:
bmse001102.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
| Atom ID | Value | Ambiguity Code |
|---|---|---|
| C13 | 24.6 | 4 |
| C12 | 24.6 | 4 |
| C14 | 24.6 | 4 |
| C11 | 24.6 | 4 |
| C15 | 24.6 | 4 |
| C10 | 24.6 | 4 |
| C16 | 24.6 | 4 |
| C9 | 27.204 | 4 |
| C5 | 24.6 | 4 |
| C4 | 29.4 | 4 |
| C6 | 27.232 | 4 |
| C3 | 31.8 | 4 |
| C8 | 129.856 | 4 |
| C17 | 34.1128 | 1 |
| C7 | 129.9447 | 4 |
| C2 | 22.7 | 1 |
| C1 | 14.1 | 1 |
| C18 | 180.386 | 1 |
| H54 | 1.28 | 4 |
| H44 | 1.3 | 4 |
| H45 | 1.64 | 4 |
| H42 | 1.28 | 4 |
| H43 | 1.28 | 4 |
| H46 | 1.28 | 4 |
| H47 | 1.28 | 4 |
| H40 | 1.28 | 4 |
| H41 | 1.28 | 4 |
| H48 | 1.28 | 4 |
| H49 | 1.28 | 4 |
| H38 | 1.28 | 4 |
| H39 | 1.28 | 4 |
| H50 | 1.28 | 4 |
| H51 | 2.03 | 1 |
| H36 | 2.03 | 1 |
| H37 | 1.28 | 4 |
| H30 | 1.28 | 4 |
| H31 | 1.28 | 4 |
| H28 | 1.28 | 4 |
| H29 | 2.03 | 1 |
| H32 | 2.03 | 1 |
| H33 | 1.28 | 4 |
| H26 | 1.28 | 4 |
| H27 | 5.29 | 4 |
| H35 | 2.36 | 1 |
| H52 | 2.36 | 1 |
| H53 | 5.36 | 4 |
| H34 | 1.3 | 1 |
| H24 | 1.3 | 1 |
| H25 | 0.89 | 1 |
| H21 | 0.89 | 1 |
| H23 | 0.89 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz