| SpectraBase Compound ID | 85zHNTxJyeF |
|---|---|
| InChI | InChI=1S/C14H18O2/c15-14(16-13-8-4-5-9-13)11-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2 |
| InChIKey | LIKBOAOJGTZVTE-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 | JKaRZcDFILH |
|---|---|
| Name | Benzenepropanoic acid, cyclopentyl 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(16-13-8-4-5-9-13)11-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2 |
| InChIKey | LIKBOAOJGTZVTE-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C1C(CCC1)OC(=O)CCC=1C=CC=CC1 |