| SpectraBase Compound ID | HxUT70j0wIO |
|---|---|
| InChI | InChI=1S/C18H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3,14-17H,1,4-13H2,2H3/b15-14+,17-16+ |
| InChIKey | PZADSPCUOQPUNJ-JLXBFWJWSA-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 | 8C0F7m8xRXr |
|---|---|
| Name | Hexadeca-2,4,15-trienoic acid, ethyl 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3,14-17H,1,4-13H2,2H3/b15-14+,17-16+ |
| InChIKey | PZADSPCUOQPUNJ-JLXBFWJWSA-N |
| SMILES | C=CCCCCCCCCC\C=C\C=C\C(OCC)=O |