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4-Benzoylthio-5-cyanoethylthio-1,3-dithiole-2-thione
SpectraBase Compound ID 8jgBAb8AYDR
InChI InChI=1S/C13H9NOS5/c14-7-4-8-17-11-12(20-13(16)19-11)18-10(15)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKey PQEGGNMMFZJHEZ-UHFFFAOYSA-N
Mol Weight 355.5 g/mol
Molecular Formula C13H9NOS5
Exact Mass 354.92877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEfVeW0mm5u
Name 4-Benzoylthio-5-cyanoethylthio-1,3-dithiole-2-thione
Alternate Name(s) S-{5-[(2-cyanoethyl)sulfanyl]-2-thioxo-1,3-dithiol-4-yl} benzenecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NOS5
InChI InChI=1S/C13H9NOS5/c14-7-4-8-17-11-12(20-13(16)19-11)18-10(15)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2
InChIKey PQEGGNMMFZJHEZ-UHFFFAOYSA-N
Molecular Weight 355.521 g/mol
SMILES C=1(SC(=S)SC1SCCC#N)SC(=O)c1ccccc1
SPLASH splash10-0pb9-0900000000-2e14c8416d3429523aae
Source of Spectrum SO-0-1447-16
Wiley ID 1545422