| SpectraBase Compound ID | 7OnnK3z3kJe |
|---|---|
| InChI | InChI=1S/C16H22O2/c1-2-13-8-5-9-15(12-13)18-16(17)11-10-14-6-3-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11H2,1H3 |
| InChIKey | UHLFJGFCIVLDBM-UHFFFAOYSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkFAYedQa9A |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c1-2-13-8-5-9-15(12-13)18-16(17)11-10-14-6-3-4-7-14/h5,8-9,12,14H,2-4,6-7,10-11H2,1H3 |
| InChIKey | UHLFJGFCIVLDBM-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C1CCCC1CCC(OC1=CC=CC(CC)=C1)=O |