| SpectraBase Compound ID | Duuni0LhCp5 |
|---|---|
| InChI | InChI=1S/C25H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-25(2,3)23-27-24/h5-6,8-9,11-12,14-15,17-18H,4,7,10,13,16,19-23H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17- |
| InChIKey | XTRBDPAMXCJCAK-AAQCHOMXSA-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 | K7rYdnzr3uD |
|---|---|
| Name | 6,9,12,15,18-Heneicosapentaenoic acid, dmox derivative |
| 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-25(2,3)23-27-24/h5-6,8-9,11-12,14-15,17-18H,4,7,10,13,16,19-23H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17- |
| InChIKey | XTRBDPAMXCJCAK-AAQCHOMXSA-N |
| Molecular Weight | 369.593 g/mol |
| SMILES | C=1(OCC(N1)(C)C)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |