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3-[(5-methylsulfanyl-2-oxidanylidene-1,3-dithiol-4-yl)sulfanyl]propanenitrile
SpectraBase Compound ID 5EoAtHwMZDO
InChI InChI=1S/C7H7NOS4/c1-10-5-6(11-4-2-3-8)13-7(9)12-5/h2,4H2,1H3
InChIKey LAICXCBNMDLBOJ-UHFFFAOYSA-N
Mol Weight 249.4 g/mol
Molecular Formula C7H7NOS4
Exact Mass 248.941049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hq27bjJuyr
Name 3-[(5-methylsulfanyl-2-oxidanylidene-1,3-dithiol-4-yl)sulfanyl]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7NOS4
InChI InChI=1S/C7H7NOS4/c1-10-5-6(11-4-2-3-8)13-7(9)12-5/h2,4H2,1H3
InChIKey LAICXCBNMDLBOJ-UHFFFAOYSA-N
Molecular Weight 249.379 g/mol
SMILES C1(SC(=C(S1)SCCC#N)SC)=O
SPLASH splash10-0006-9030000000-03b62f00565273fd645c
Source of Spectrum J-62-4941-7
Synonyms 3-[[2-keto-5-(methylthio)-1,3-dithiol-4-yl]thio]propionitrile 3-[[5-(methylthio)-2-oxo-1,3-dithiol-4-yl]thio]propanenitrile
Wiley ID 1251895