| SpectraBase Compound ID | JEPcNWamtn3 |
|---|---|
| InChI | InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h7-8,10-11,13-14H,3-6,9,12,15-17H2,1-2H3/b8-7+,11-10+,14-13+ |
| InChIKey | SINQXHSEFNZZNO-SPOHZTNBSA-N |
| Mol Weight | 278.44 g/mol |
| Molecular Formula | C18H30O2 |
| Exact Mass | 278.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jCQlVOFmaM |
|---|---|
| Name | 5,8,11-Heptadecatrienoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.224580204 u |
| Formula | C18H30O2 |
| InChI | InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h7-8,10-11,13-14H,3-6,9,12,15-17H2,1-2H3/b8-7+,11-10+,14-13+ |
| InChIKey | SINQXHSEFNZZNO-SPOHZTNBSA-N |
| SMILES | C(\C=C\C\C=C\C\C=C\CCCCC)CCC(OC)=O |