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4-(2-Cyanoethylthio)-5-methoxycarbonyl-1,3-dithiol-2-thione
SpectraBase Compound ID KywNkm3PKLn
InChI InChI=1S/C8H7NO2S4/c1-11-6(10)5-7(13-4-2-3-9)15-8(12)14-5/h2,4H2,1H3
InChIKey AIJXTEAZPNZZGS-UHFFFAOYSA-N
Mol Weight 277.4 g/mol
Molecular Formula C8H7NO2S4
Exact Mass 276.935963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANfxBhscUIS
Name 4-(2-Cyanoethylthio)-5-methoxycarbonyl-1,3-dithiol-2-thione
Alternate Name(s) methyl 5-[(2-cyanoethyl)sulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C8H7NO2S4
InChI InChI=1S/C8H7NO2S4/c1-11-6(10)5-7(13-4-2-3-9)15-8(12)14-5/h2,4H2,1H3
InChIKey AIJXTEAZPNZZGS-UHFFFAOYSA-N
Molecular Weight 277.389 g/mol
SMILES C1(SC(=C(S1)SCCC#N)C(=O)OC)=S
SPLASH splash10-004r-7090000000-4ee3e53f7b48e28d6729
Source of Spectrum SO-0-525-3
Wiley ID 1545641