| SpectraBase Spectrum ID |
5Z1R9w48nFQ |
| Name |
Dithiane |
| CAS Registry Number |
505-29-3 |
| Classification |
Chemical warfare agent artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
120.006742606 u |
| Formula |
C4H8S2 |
| InChI |
InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2 |
| InChIKey |
LOZWAPSEEHRYPG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
120.228 g/mol |
| Nominal Mass |
120 u |
| Quality |
890 |
| Retention Index |
773 |
| SMILES |
C1SCCSC1 |
| SPLASH |
splash10-022a-9300000000-9fdc0121701cf39abc42 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,4-Dithiane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001227 |
