| SpectraBase Compound ID | ucGmccJokP |
|---|---|
| InChI | InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11H,3,6,9,12-22H2,1-2H3/b5-4-,8-7-,11-10- |
| InChIKey | RXNIYBHTXVTSAK-YSTUJMKBSA-N |
| Mol Weight | 348.6 g/mol |
| Molecular Formula | C23H40O2 |
| Exact Mass | 348.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DrYDNtrSpYD |
|---|---|
| Name | (13Z,16Z,19Z)-Docosatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.302830526 u |
| Formula | C23H40O2 |
| InChI | InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11H,3,6,9,12-22H2,1-2H3/b5-4-,8-7-,11-10- |
| InChIKey | RXNIYBHTXVTSAK-YSTUJMKBSA-N |
| Molecular Weight | 348.571 g/mol |
| SMILES | C(CCCCCCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OC |