| SpectraBase Compound ID | DDMNQHqpwW6 |
|---|---|
| InChI | InChI=1S/C14H17FO2/c15-12-6-3-7-13(10-12)17-14(16)9-8-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9H2 |
| InChIKey | KIKFVYDITVWYLK-UHFFFAOYSA-N |
| Mol Weight | 236.29 g/mol |
| Molecular Formula | C14H17FO2 |
| Exact Mass | 236.121258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABRVjbn7l72 |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.121257948 u |
| Formula | C14H17FO2 |
| InChI | InChI=1S/C14H17FO2/c15-12-6-3-7-13(10-12)17-14(16)9-8-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9H2 |
| InChIKey | KIKFVYDITVWYLK-UHFFFAOYSA-N |
| Molecular Weight | 236.286 g/mol |
| SMILES | C(CCC1CCCC1)(OC1=CC=CC(=C1)F)=O |