| SpectraBase Compound ID | CTwaka5lCCn |
|---|---|
| InChI | InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | BWPZAUWSFKCBNG-UHFFFAOYSA-N |
| Mol Weight | 190.64 g/mol |
| Molecular Formula | C7H7ClO2S |
| Exact Mass | 189.985528 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BKuaycbt1te |
|---|---|
| Name | 3-Chlorophenyl methyl sulfone |
| 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/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | BWPZAUWSFKCBNG-UHFFFAOYSA-N |
| Molecular Weight | 190.644 g/mol |
| SMILES | C=1(S(=O)(=O)C)C=C(Cl)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889369 |