| SpectraBase Spectrum ID |
2nsMeV6RNCK |
| Name |
Thiodiglycolsulphoxide |
| CAS Registry Number |
3085-45-8 |
| Classification |
Chemical warfare agent artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
138.035065353 u |
| Formula |
C4H10O3S |
| InChI |
InChI=1S/C4H10O3S/c5-1-3-8(7)4-2-6/h5-6H,1-4H2 |
| InChIKey |
XHKPPUVICXLDRJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
138.181 g/mol |
| Nominal Mass |
138 u |
| Quality |
806 |
| Retention Index |
887 |
| SMILES |
OCCS(CCO)=O |
| SPLASH |
splash10-002e-9000000000-d07c24987c62f05de40a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Mustard gas artifact
2-((2-hydroxyethyl)sulfinyl)ethan-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004023 |
