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Carbamodithioic acid, diethyl-, methyl ester
SpectraBase Compound ID 8Nn16QtsdHm
InChI InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3
InChIKey JYRXPFCUABYLPD-UHFFFAOYSA-N
Mol Weight 163.3 g/mol
Molecular Formula C6H13NS2
Exact Mass 163.048942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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