| SpectraBase Compound ID | EMj9iGhpOpj |
|---|---|
| InChI | InChI=1S/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3 |
| InChIKey | PVJZBZSCGJAWNG-UHFFFAOYSA-N |
| Mol Weight | 218.7 g/mol |
| Molecular Formula | C9H11ClO2S |
| Exact Mass | 218.016828 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2Q2s538Vfgn |
|---|---|
| Name | 2-Mesitylenesulfonyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.016828466 u |
| Formula | C9H11ClO2S |
| InChI | InChI=1S/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3 |
| InChIKey | PVJZBZSCGJAWNG-UHFFFAOYSA-N |
| Molecular Weight | 218.698 g/mol |
| SMILES | C1=C(C(=C(C=C1C)C)S(=O)(=O)Cl)C |
| Spectrum/Structure Validation Score (Raman) | 0.982366 |