| SpectraBase Compound ID | EnI8DAPkCyT |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17- |
| InChIKey | SSQPWTVBQMWLSZ-AAQCHOMXSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C22H34O2 |
| Exact Mass | 330.25588 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HRNSN0kcQtw |
|---|---|
| Name | all-cis-5,8,11,14,17-Eicosapentaenoic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.255880333 u |
| Formula | C22H34O2 |
| InChI | InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17- |
| InChIKey | SSQPWTVBQMWLSZ-AAQCHOMXSA-N |
| Molecular Weight | 330.512 g/mol |
| SMILES | C(CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.821095 |