| SpectraBase Compound ID | GfsUl1PExVQ |
|---|---|
| InChI | InChI=1S/C12H7Cl3O/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6,16H |
| InChIKey | YHJKFTWJGYESCS-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 | DSxiCPDILtP |
|---|---|
| Name | 2-Hydroxy-2',5,5'-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/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6,16H |
| InChIKey | YHJKFTWJGYESCS-UHFFFAOYSA-N |
| SMILES | C1(C2=C(C=CC(=C2)Cl)Cl)=C(C=CC(=C1)Cl)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948004 |