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4-Benzoylthio-5-cyanoethylthio-1,3-dithiole-2-one
SpectraBase Compound ID Jw8jm2xZMHL
InChI InChI=1S/C13H9NO2S4/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 LVCRWGMAFCVIPE-UHFFFAOYSA-N
Mol Weight 339.5 g/mol
Molecular Formula C13H9NO2S4
Exact Mass 338.951613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2a34lnIQgX7
Name 4-Benzoylthio-5-cyanoethylthio-1,3-dithiole-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NO2S4
InChI InChI=1S/C13H9NO2S4/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 LVCRWGMAFCVIPE-UHFFFAOYSA-N
Molecular Weight 339.460 g/mol
SMILES C=1(SC(=O)SC1SCCC#N)SC(=O)c1ccccc1
SPLASH splash10-0udi-0924000000-d181f757356c043afeb4
Source of Spectrum SO-0-1447-17
Synonyms S-{5-[(2-cyanoethyl)sulfanyl]-2-oxo-1,3-dithiol-4-yl} benzenecarbothioate
Wiley ID 1545421