| SpectraBase Compound ID | AitRSvzLFfm |
|---|---|
| InChI | InChI=1S/C25H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-27-25(26)23-21-19-8-6-4-2/h19,21H,3-18,20,22-24H2,1-2H3/b21-19+ |
| InChIKey | ZRRAAYLJGBVKLA-XUTLUUPISA-N |
| Mol Weight | 380.7 g/mol |
| Molecular Formula | C25H48O2 |
| Exact Mass | 380.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HrHuVbXe3BZ |
|---|---|
| Name | 3-Octenoic acid, heptadecyl 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/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-27-25(26)23-21-19-8-6-4-2/h19,21H,3-18,20,22-24H2,1-2H3/b21-19+ |
| InChIKey | ZRRAAYLJGBVKLA-XUTLUUPISA-N |
| Molecular Weight | 380.657 g/mol |
| SMILES | C(\C=C\CCCC)C(OCCCCCCCCCCCCCCCCC)=O |