| SpectraBase Compound ID | 9OishN4Mzde |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3 |
| InChIKey | XOIOYHPJZJLTGK-UHFFFAOYSA-N |
| Mol Weight | 184.62 g/mol |
| Molecular Formula | C9H9ClO2 |
| Exact Mass | 184.029107 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EtmV8UNbiaB |
|---|---|
| Name | Chlorophenylacetic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.029107228 u |
| Formula | C9H9ClO2 |
| InChI | InChI=1S/C9H9ClO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3 |
| InChIKey | XOIOYHPJZJLTGK-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C=1C(=CC=CC1)C(C(OC)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.969459 |