| SpectraBase Compound ID | A2R78vD1qSc |
|---|---|
| InChI | InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H |
| InChIKey | XGCHAIDDPMFRLJ-UHFFFAOYSA-N |
| Mol Weight | 197.45 g/mol |
| Molecular Formula | C6H3Cl3O |
| Exact Mass | 195.924948 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9Ebx38u3wTw |
|---|---|
| Name | 2,3,6-Trichlorophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.924947816 u |
| Formula | C6H3Cl3O |
| InChI | InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H |
| InChIKey | XGCHAIDDPMFRLJ-UHFFFAOYSA-N |
| Molecular Weight | 197.448 g/mol |
| SMILES | C1(O)=C(C=CC(=C1Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.822509 |