| SpectraBase Compound ID | CoXvUisbjKD |
|---|---|
| InChI | InChI=1S/C17H17ClO2/c18-15-10-12-16(13-11-15)20-17(19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2 |
| InChIKey | QTDNOYVRUFYGHX-UHFFFAOYSA-N |
| Mol Weight | 288.77 g/mol |
| Molecular Formula | C17H17ClO2 |
| Exact Mass | 288.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pS0LKz6aDC |
|---|---|
| Name | 5-Phenylvaleric acid, 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.091707485 u |
| Formula | C17H17ClO2 |
| InChI | InChI=1S/C17H17ClO2/c18-15-10-12-16(13-11-15)20-17(19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2 |
| InChIKey | QTDNOYVRUFYGHX-UHFFFAOYSA-N |
| SMILES | C(CCC(OC1=CC=C(C=C1)Cl)=O)CC=1C=CC=CC1 |