| SpectraBase Compound ID | CLhmCd7dtvT |
|---|---|
| InChI | InChI=1S/C12H7Cl3/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H |
| InChIKey | SXHLTVKPNQVZGL-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 | 4hDzrUeWg72 |
|---|---|
| Name | 1,1'-Biphenyl, 2,3,3'-trichloro- |
| 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/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H |
| InChIKey | SXHLTVKPNQVZGL-UHFFFAOYSA-N |
| Molecular Weight | 257.547 g/mol |
| SMILES | C1=CC(C2=CC(Cl)=CC=C2)=C(C(=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905304 |