| SpectraBase Compound ID | 3CzuLQw3sHt |
|---|---|
| InChI | InChI=1S/C7H5Cl3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3 |
| InChIKey | LHOGNQZQKDZOBP-UHFFFAOYSA-N |
| Mol Weight | 195.48 g/mol |
| Molecular Formula | C7H5Cl3 |
| Exact Mass | 193.945683 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LQmk7o8AfUe |
|---|---|
| Name | Benzene, 1,2,3-trichloro-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.945683261 u |
| Formula | C7H5Cl3 |
| InChI | InChI=1S/C7H5Cl3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3 |
| InChIKey | LHOGNQZQKDZOBP-UHFFFAOYSA-N |
| Molecular Weight | 195.476 g/mol |
| SMILES | C1=C(C(=C(C(=C1)Cl)Cl)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937643 |