| SpectraBase Compound ID | BLKdE4iH2eC |
|---|---|
| InChI | InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-27-25(26)22-21-24-19-16-17-20-24/h24H,2-23H2,1H3 |
| InChIKey | WJHIYBFCQQGWNY-UHFFFAOYSA-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 | CZI4wEJwpuE |
|---|---|
| Name | 3-Cyclopentylpropionic 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-27-25(26)22-21-24-19-16-17-20-24/h24H,2-23H2,1H3 |
| InChIKey | WJHIYBFCQQGWNY-UHFFFAOYSA-N |
| Molecular Weight | 380.657 g/mol |
| SMILES | C(OCCCCCCCCCCCCCCCCC)(=O)CCC1CCCC1 |