| SpectraBase Compound ID | 2dZtVcA1iEe |
|---|---|
| InChI | InChI=1S/C12H7Cl3O/c13-7-1-4-11(14)10(5-7)9-3-2-8(16)6-12(9)15/h1-6,16H |
| InChIKey | BOMKFRARJMTKCQ-UHFFFAOYSA-N |
| Mol Weight | 273.55 g/mol |
| Molecular Formula | C12H7Cl3O |
| Exact Mass | 271.956248 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C6agEEZqSz6 |
|---|---|
| Name | 4-Hydroxy-2,2',5'-trichlorobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.956247944 u |
| Formula | C12H7Cl3O |
| InChI | InChI=1S/C12H7Cl3O/c13-7-1-4-11(14)10(5-7)9-3-2-8(16)6-12(9)15/h1-6,16H |
| InChIKey | BOMKFRARJMTKCQ-UHFFFAOYSA-N |
| SMILES | C1(C2=C(C=CC(=C2)Cl)Cl)=C(C=C(C=C1)O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938828 |