| SpectraBase Compound ID | 5T2FK1zmkVx |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15- |
| InChIKey | YUFFSWGQGVEMMI-JLNKQSITSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C22H34O2 |
| Exact Mass | 330.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 364V9nJNgpL |
|---|---|
| Name | 7Z,10Z,13Z,16Z,19Z-Docosapentaenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.255880333 u |
| Formula | C22H34O2 |
| InChI | InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15- |
| InChIKey | YUFFSWGQGVEMMI-JLNKQSITSA-N |
| Molecular Weight | 330.512 g/mol |
| SMILES | C(CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)O |