| SpectraBase Compound ID | HJJzDReeLSS |
|---|---|
| InChI | InChI=1S/C9H9Cl3/c1-7-2-4-8(5-3-7)6-9(10,11)12/h2-5H,6H2,1H3 |
| InChIKey | BGYCCIUNWPSLBB-UHFFFAOYSA-N |
| Mol Weight | 223.53 g/mol |
| Molecular Formula | C9H9Cl3 |
| Exact Mass | 221.976983 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5g8OvUA3C0s |
|---|---|
| Name | (Trichloroethyl) toluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.976983390 u |
| Formula | C9H9Cl3 |
| InChI | InChI=1S/C9H9Cl3/c1-7-2-4-8(5-3-7)6-9(10,11)12/h2-5H,6H2,1H3 |
| InChIKey | BGYCCIUNWPSLBB-UHFFFAOYSA-N |
| Molecular Weight | 223.530 g/mol |
| SMILES | C=1(C=CC(=CC1)CC(Cl)(Cl)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895766 |