| SpectraBase Compound ID | A08d0yQ2MSE |
|---|---|
| InChI | InChI=1S/C12H7Cl3/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-7H |
| InChIKey | SYSBNFJJSJLZMM-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 | 4l3JHDzLXQr |
|---|---|
| Name | 1,1'-Biphenyl, 3,4',5-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/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-7H |
| InChIKey | SYSBNFJJSJLZMM-UHFFFAOYSA-N |
| Molecular Weight | 257.547 g/mol |
| SMILES | C1=CC(=CC=C1C1=CC(=CC(=C1)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946856 |