| SpectraBase Compound ID | 85vmdIWX2ET |
|---|---|
| InChI | InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H |
| InChIKey | BHWVLZJTVIYLIV-UHFFFAOYSA-N |
| Mol Weight | 292.0 g/mol |
| Molecular Formula | C12H6Cl4 |
| Exact Mass | 289.922361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LvTZbiYyOzU |
|---|---|
| Name | 3,4,4',5-Tetrachloro-1,1'-biphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.922360993 u |
| Formula | C12H6Cl4 |
| InChI | InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H |
| InChIKey | BHWVLZJTVIYLIV-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)Cl)C1=CC(=C(C(=C1)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912484 |