| SpectraBase Compound ID | 6nEQR9W8Zka |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-18H2,1-2H3/b5-4-,8-7-,11-10-,14-13- |
| InChIKey | BIRKCHKCDPCDEG-GJDCDIHCSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | X3sGkzjB9E |
|---|---|
| Name | (6Z,9Z,12Z,15Z)-Methyl octadeca-6,9,12,15-tetraenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-18H2,1-2H3/b5-4-,8-7-,11-10-,14-13- |
| InChIKey | BIRKCHKCDPCDEG-GJDCDIHCSA-N |
| SMILES | C(CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OC |