| SpectraBase Compound ID | LFC45TTPDZ1 |
|---|---|
| InChI | InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 |
| InChIKey | ZSPXTTVUJDSRNJ-UHFFFAOYSA-N |
| Mol Weight | 193.09 g/mol |
| Molecular Formula | C7H6Cl2S |
| Exact Mass | 191.956727 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BcMIOuqOvF8 |
|---|---|
| Name | 2,4-Dichloro-alpha-toluenethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.956726767 u |
| Formula | C7H6Cl2S |
| InChI | InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 |
| InChIKey | ZSPXTTVUJDSRNJ-UHFFFAOYSA-N |
| Molecular Weight | 193.091 g/mol |
| SMILES | SCC1=CC=C(C=C1Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.9628 |