| SpectraBase Compound ID | 9FGKwxuszbT |
|---|---|
| InChI | InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27-25(26)23-21-8-6-4-2/h21,23H,3-20,22,24H2,1-2H3/b23-21+ |
| InChIKey | PZRJMITWENUEBQ-XTQSDGFTSA-N |
| Mol Weight | 380.7 g/mol |
| Molecular Formula | C25H48O2 |
| Exact Mass | 380.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIOTHwCSSnl |
|---|---|
| Name | 2-Heptenoic acid, octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.365430784 u |
| Formula | C25H48O2 |
| InChI | InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27-25(26)23-21-8-6-4-2/h21,23H,3-20,22,24H2,1-2H3/b23-21+ |
| InChIKey | PZRJMITWENUEBQ-XTQSDGFTSA-N |
| Molecular Weight | 380.657 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)CCC |