| SpectraBase Compound ID | 8Qv9BjRS4v9 |
|---|---|
| InChI | InChI=1S/C16H22O2/c17-16(11-10-14-8-4-5-9-14)18-13-12-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2 |
| InChIKey | WBXCOQLSSKIHHU-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 | FfPKtN1OFgN |
|---|---|
| Name | 3-Cyclopentylpropionic acid, 2-phenylethyl 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/c17-16(11-10-14-8-4-5-9-14)18-13-12-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2 |
| InChIKey | WBXCOQLSSKIHHU-UHFFFAOYSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C1=CC=CC=C1CCOC(CCC1CCCC1)=O |