| SpectraBase Compound ID | 81a3cLmHjv7 |
|---|---|
| InChI | InChI=1S/C7H5Cl3/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2 |
| InChIKey | ZFLRKAMKGYNFPH-UHFFFAOYSA-N |
| Mol Weight | 195.48 g/mol |
| Molecular Formula | C7H5Cl3 |
| Exact Mass | 193.945683 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 13JqC9YbevS |
|---|---|
| Name | alpha-3,5-Trichlorotoluene; benzene, 1,3-dichloro-5-(chloromethyl)- |
| 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/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2 |
| InChIKey | ZFLRKAMKGYNFPH-UHFFFAOYSA-N |
| Molecular Weight | 195.476 g/mol |
| SMILES | C1=C(C=C(C=C1Cl)Cl)CCl |
| Spectrum/Structure Validation Score (Raman) | 0.965245 |