| SpectraBase Compound ID | Be2coo0VdUo |
|---|---|
| InChI | InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-24-22(23)20-18-8-6-4-2/h18,20H,3-17,19,21H2,1-2H3/b20-18+ |
| InChIKey | MNKUQIGXHBMCJK-CZIZESTLSA-N |
| Mol Weight | 338.6 g/mol |
| Molecular Formula | C22H42O2 |
| Exact Mass | 338.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 36kMkvw0xKP |
|---|---|
| Name | 2-Heptenoic acid, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.318480590 u |
| Formula | C22H42O2 |
| InChI | InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-24-22(23)20-18-8-6-4-2/h18,20H,3-17,19,21H2,1-2H3/b20-18+ |
| InChIKey | MNKUQIGXHBMCJK-CZIZESTLSA-N |
| Molecular Weight | 338.576 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCCCCCCC)=O)CCC |