| SpectraBase Compound ID | JQw57PFVRX7 |
|---|---|
| InChI | InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H |
| InChIKey | YKKYCYQDUUXNLN-UHFFFAOYSA-N |
| Mol Weight | 257.55 g/mol |
| Molecular Formula | C12H7Cl3 |
| Exact Mass | 255.961333 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HTGSvSkzt0N |
|---|---|
| Name | 2,2',4-Trichloro-1,1'-biphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.961333325 u |
| Formula | C12H7Cl3 |
| InChI | InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H |
| InChIKey | YKKYCYQDUUXNLN-UHFFFAOYSA-N |
| Molecular Weight | 257.547 g/mol |
| SMILES | C1(=C(C=CC=C1)Cl)C1=CC=C(C=C1Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919631 |