| SpectraBase Compound ID | 4SKUHU0GeEa |
|---|---|
| InChI | InChI=1S/C8H7Cl3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3 |
| InChIKey | CBXDCGQZMAUIHD-UHFFFAOYSA-N |
| Mol Weight | 209.5 g/mol |
| Molecular Formula | C8H7Cl3 |
| Exact Mass | 207.961333 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KXIYamojo59 |
|---|---|
| Name | Benzene, 1-methyl-2-(trichloromethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.961333325 u |
| Formula | C8H7Cl3 |
| InChI | InChI=1S/C8H7Cl3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3 |
| InChIKey | CBXDCGQZMAUIHD-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1C)C(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958324 |