| SpectraBase Compound ID | AkRNTaXSHlL |
|---|---|
| InChI | InChI=1S/C4H8Cl2OS/c5-1-3-8(7)4-2-6/h1-4H2 |
| InChIKey | NOMHBBFEJSVGSC-UHFFFAOYSA-N |
| Mol Weight | 175.07 g/mol |
| Molecular Formula | C4H8Cl2OS |
| Exact Mass | 173.967291 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | q4I8qc0ECA |
|---|---|
| Name | bis-(2-Chloroethyl)-sulfoxide;(mustard-sulfoxide) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.967291451 u |
| Formula | C4H8Cl2OS |
| InChI | InChI=1S/C4H8Cl2OS/c5-1-3-8(7)4-2-6/h1-4H2 |
| InChIKey | NOMHBBFEJSVGSC-UHFFFAOYSA-N |
| Molecular Weight | 175.073 g/mol |
| SMILES | C(S(=O)CCCl)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944438 |