| SpectraBase Compound ID | 9g9K3uaZivb |
|---|---|
| InChI | InChI=1S/C24H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-23H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19- |
| InChIKey | ROFVEVFCNPGNKS-JDPCYWKWSA-N |
| Mol Weight | 356.6 g/mol |
| Molecular Formula | C24H36O2 |
| Exact Mass | 356.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 60431UClePe |
|---|---|
| Name | 5(Z),8(Z),11(Z),14(Z),17(Z),20(Z)-Tricosahexaenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.271530397 u |
| Formula | C24H36O2 |
| InChI | InChI=1S/C24H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-23H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19- |
| InChIKey | ROFVEVFCNPGNKS-JDPCYWKWSA-N |
| Molecular Weight | 356.550 g/mol |
| SMILES | C(CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OC |