| SpectraBase Compound ID | 72t6bSpBhf3 |
|---|---|
| InChI | InChI=1S/C24H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-6-4-2/h5,7,9-10,12-13,15-16,18-19H,3-4,6,8,11,14,17,20-23H2,1-2H3/b7-5-,10-9-,13-12-,16-15-,19-18- |
| InChIKey | JEDOOQLVNKPAMG-CZESKWGWSA-N |
| Mol Weight | 358.6 g/mol |
| Molecular Formula | C24H38O2 |
| Exact Mass | 358.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94USuNJrbwj |
|---|---|
| Name | Butyl 5,8,11,14,17-eicosapentaenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.287180462 u |
| Formula | C24H38O2 |
| InChI | InChI=1S/C24H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-6-4-2/h5,7,9-10,12-13,15-16,18-19H,3-4,6,8,11,14,17,20-23H2,1-2H3/b7-5-,10-9-,13-12-,16-15-,19-18- |
| InChIKey | JEDOOQLVNKPAMG-CZESKWGWSA-N |
| Molecular Weight | 358.566 g/mol |
| SMILES | C(CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(OCCCC)=O |