| SpectraBase Compound ID | CWd2NqI5SeJ |
|---|---|
| InChI | InChI=1S/C13H9ClO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H |
| InChIKey | JKSIXXOEIXUYFW-UHFFFAOYSA-N |
| Mol Weight | 232.67 g/mol |
| Molecular Formula | C13H9ClO2 |
| Exact Mass | 232.029107 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DZTjVsSP3Lj |
|---|---|
| Name | Benzoic acid, p-chlorophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.029107228 u |
| Formula | C13H9ClO2 |
| InChI | InChI=1S/C13H9ClO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H |
| InChIKey | JKSIXXOEIXUYFW-UHFFFAOYSA-N |
| Molecular Weight | 232.666 g/mol |
| SMILES | C=1C(=CC=CC1)C(OC=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.98043 |