| SpectraBase Compound ID | 72Y6zjGJ6h7 |
|---|---|
| InChI | InChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 |
| InChIKey | GKQXPTHQTXCXEV-UHFFFAOYSA-N |
| Mol Weight | 158.65 g/mol |
| Molecular Formula | C7H7ClS |
| Exact Mass | 157.995699 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8kRqkbtWd48 |
|---|---|
| Name | p-Chloro-alpha-toluenethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.995699099 u |
| Formula | C7H7ClS |
| InChI | InChI=1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 |
| InChIKey | GKQXPTHQTXCXEV-UHFFFAOYSA-N |
| Molecular Weight | 158.646 g/mol |
| SMILES | SCC=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.837325 |