| SpectraBase Compound ID | 8LdanmPj1VR |
|---|---|
| InChI | InChI=1S/C7H5ClO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,(H,10,11) |
| InChIKey | UTVCLUZQPSRKMY-UHFFFAOYSA-N |
| Mol Weight | 172.57 g/mol |
| Molecular Formula | C7H5ClO3 |
| Exact Mass | 171.992722 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L3O5Q3KcsnT |
|---|---|
| Name | Benzoic acid, 2-chloro-5-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.992721718 u |
| Formula | C7H5ClO3 |
| InChI | InChI=1S/C7H5ClO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,(H,10,11) |
| InChIKey | UTVCLUZQPSRKMY-UHFFFAOYSA-N |
| Molecular Weight | 172.567 g/mol |
| SMILES | OC=1C=CC(=C(C(O)=O)C1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.98594 |