| SpectraBase Compound ID | K7x6a5fk2Zz |
|---|---|
| InChI | InChI=1S/C9H8Cl2O2S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-6H,1H3 |
| InChIKey | APFAPRPRHJTPDZ-UHFFFAOYSA-N |
| Mol Weight | 251.13 g/mol |
| Molecular Formula | C9H8Cl2O2S |
| Exact Mass | 249.962206 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EkIx6RdEIem |
|---|---|
| Name | 1,1-Dichloro-2-p-tolylsulphonylethene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.962206070 u |
| Formula | C9H8Cl2O2S |
| InChI | InChI=1S/C9H8Cl2O2S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-6H,1H3 |
| InChIKey | APFAPRPRHJTPDZ-UHFFFAOYSA-N |
| Molecular Weight | 251.127 g/mol |
| SMILES | CC1=CC=C(S(C=C(Cl)Cl)(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846042 |