| SpectraBase Spectrum ID |
GWCv8WIiSga |
| Name |
Methyl diethyldithiocarbamate |
| CAS Registry Number |
686-07-7 |
| Classification |
Disulfiram metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
163.048941771 u |
| Formula |
C6H13NS2 |
| InChI |
InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3 |
| InChIKey |
JYRXPFCUABYLPD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
163.297 g/mol |
| Nominal Mass |
163 u |
| Quality |
842 |
| Retention Index |
1103 |
| SMILES |
C(N(CC)CC)(SC)=S |
| SPLASH |
splash10-03dr-9600000000-ba7b74c19259a9e64cb8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Diethyl-carbamodithioic acid methyl ester
MeDDC
Methyl diethylaminomethanedithioate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031719 |
