SpectraBase Compound ID | IzSZUwA9Vem |
---|---|
InChI | InChI=1S/C3H7ClO2S/c1-7(5,6)3-2-4/h2-3H2,1H3 |
InChIKey | DKWNYTKOLIZNAX-UHFFFAOYSA-N |
Mol Weight | 142.6 g/mol |
Molecular Formula | C3H7ClO2S |
Exact Mass | 141.985528 g/mol |
SpectraBase Spectrum ID | LughIdpYxmm |
---|---|
Name | 2-Chloroethyl methyl sulfone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 141.985528337 u |
Formula | C3H7ClO2S |
InChI | InChI=1S/C3H7ClO2S/c1-7(5,6)3-2-4/h2-3H2,1H3 |
InChIKey | DKWNYTKOLIZNAX-UHFFFAOYSA-N |
SMILES | C(CS(C)(=O)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932591 |