| SpectraBase Compound ID | 42Ew0wp1imp |
|---|---|
| InChI | InChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(27)26-23-20-21-24-26/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-24H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15- |
| InChIKey | QRCFUAHYDCIHDX-JLNKQSITSA-N |
| Mol Weight | 369.6 g/mol |
| Molecular Formula | C25H39NO |
| Exact Mass | 369.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELW5EmWyYg8 |
|---|---|
| Name | 6,9,12,15,18-Heneicosapentaenoic acid, pyrrolidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.303164879 u |
| Formula | C25H39NO |
| InChI | InChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(27)26-23-20-21-24-26/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-24H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15- |
| InChIKey | QRCFUAHYDCIHDX-JLNKQSITSA-N |
| Molecular Weight | 369.593 g/mol |
| SMILES | C(N1CCCC1)(CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)=O |