| SpectraBase Compound ID | 1TAAM4ZORlf |
|---|---|
| InChI | InChI=1S/C23H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-22H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17- |
| InChIKey | RKAKAVQIMCZXPE-AAQCHOMXSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C23H36O2 |
| Exact Mass | 344.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzP0zH7ayip |
|---|---|
| Name | Ethyl 6,9,12,15,18-heneicosapentaenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.271530397 u |
| Formula | C23H36O2 |
| InChI | InChI=1S/C23H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-22H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17- |
| InChIKey | RKAKAVQIMCZXPE-AAQCHOMXSA-N |
| Molecular Weight | 344.539 g/mol |
| SMILES | C(CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(OCC)=O |