| SpectraBase Compound ID | DFPG86I7cuz |
|---|---|
| InChI | InChI=1S/C26H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h5,7,9-10,12-13,15-16,18-19,21-22H,3-4,6,8,11,14,17,20,23-25H2,1-2H3/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21- |
| InChIKey | HWEFNLLURNFGMU-NZSKKQKASA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C26H40O2 |
| Exact Mass | 384.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Em0S1xTjpeO |
|---|---|
| Name | Butyl 4,7,10,13,16,19-docosahexaenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.302830526 u |
| Formula | C26H40O2 |
| InChI | InChI=1S/C26H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h5,7,9-10,12-13,15-16,18-19,21-22H,3-4,6,8,11,14,17,20,23-25H2,1-2H3/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21- |
| InChIKey | HWEFNLLURNFGMU-NZSKKQKASA-N |
| Molecular Weight | 384.604 g/mol |
| SMILES | C(C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(OCCCC)=O |