| SpectraBase Compound ID | 7w0cEsUIWlx |
|---|---|
| InChI | InChI=1S/C7H2Cl4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13) |
| InChIKey | UYGUFXUBSNDUFA-UHFFFAOYSA-N |
| Mol Weight | 259.9 g/mol |
| Molecular Formula | C7H2Cl4O2 |
| Exact Mass | 257.88089 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BUQv8ZszpjB |
|---|---|
| Name | 2,3,5,6-Tetrachlorobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.880890102 u |
| Formula | C7H2Cl4O2 |
| InChI | InChI=1S/C7H2Cl4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13) |
| InChIKey | UYGUFXUBSNDUFA-UHFFFAOYSA-N |
| SMILES | OC(C=1C(Cl)=C(Cl)C=C(C1Cl)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.861321 |