| SpectraBase Compound ID | Hq59tPVHR3j |
|---|---|
| InChI | InChI=1S/C14H18O2/c15-14(11-10-12-6-4-5-7-12)16-13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2 |
| InChIKey | HZZWNGXHJQMESJ-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FREJMHqWZC2 |
|---|---|
| Name | 3-Cyclopentylpropionic acid, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c15-14(11-10-12-6-4-5-7-12)16-13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2 |
| InChIKey | HZZWNGXHJQMESJ-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C1(=CC=CC=C1)OC(=O)CCC1CCCC1 |