| SpectraBase Compound ID | Hxpnz2MKSHj |
|---|---|
| InChI | InChI=1S/C8H9ClO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3 |
| InChIKey | LXPRVXKHIXWBJZ-UHFFFAOYSA-N |
| Mol Weight | 204.67 g/mol |
| Molecular Formula | C8H9ClO2S |
| Exact Mass | 204.001178 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JFs1IfL4e7x |
|---|---|
| Name | p-Methylsulfonylbenzyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.001178402 u |
| Formula | C8H9ClO2S |
| InChI | InChI=1S/C8H9ClO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3 |
| InChIKey | LXPRVXKHIXWBJZ-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)S(=O)(=O)C)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957879 |