| SpectraBase Compound ID | HXFlQq2RLTV |
|---|---|
| InChI | InChI=1S/C12H6Cl4/c13-8-1-2-12(16)11(6-8)7-3-9(14)5-10(15)4-7/h1-6H |
| InChIKey | WBTMFEPLVQOWFI-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 | 2dA7dLD2haM |
|---|---|
| Name | 1,1'-Biphenyl, 2,3',5,5'-tetrachloro- |
| 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/c13-8-1-2-12(16)11(6-8)7-3-9(14)5-10(15)4-7/h1-6H |
| InChIKey | WBTMFEPLVQOWFI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(C2=CC(Cl)=CC(=C2)Cl)C=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941403 |