| SpectraBase Compound ID | v6caF1el1S |
|---|---|
| InChI | InChI=1S/C7H7ClO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3 |
| InChIKey | KFPMLWUKHQMEBU-UHFFFAOYSA-N |
| Mol Weight | 190.64 g/mol |
| Molecular Formula | C7H7ClO2S |
| Exact Mass | 189.985528 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GgCxcJCIEe3 |
|---|---|
| Name | m-Toluenesulfonyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.985528337 u |
| Formula | C7H7ClO2S |
| InChI | InChI=1S/C7H7ClO2S/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3 |
| InChIKey | KFPMLWUKHQMEBU-UHFFFAOYSA-N |
| Molecular Weight | 190.644 g/mol |
| SMILES | C1=C(C=CC=C1S(=O)(=O)Cl)C |
| Spectrum/Structure Validation Score (Raman) | 0.819682 |