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3-[bis(Cyanomethylthio)methylene]-3H-isobenzofuran-1-one
SpectraBase Compound ID IY27dh9AFZb
InChI InChI=1S/C13H8N2O2S2/c14-5-7-18-13(19-8-6-15)11-9-3-1-2-4-10(9)12(16)17-11/h1-4H,7-8H2
InChIKey BWDQPUSDZGYFBC-UHFFFAOYSA-N
Mol Weight 288.34 g/mol
Molecular Formula C13H8N2O2S2
Exact Mass 288.00272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAyMOKsT4eK
Name 3-[bis(Cyanomethylthio)methylene]-3H-isobenzofuran-1-one
Alternate Name(s) {[[(cyanomethyl)sulfanyl](3-oxo-2-benzofuran-1(3H)-ylidene)methyl]sulfanyl}acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N2O2S2
InChI InChI=1S/C13H8N2O2S2/c14-5-7-18-13(19-8-6-15)11-9-3-1-2-4-10(9)12(16)17-11/h1-4H,7-8H2
InChIKey BWDQPUSDZGYFBC-UHFFFAOYSA-N
Molecular Weight 288.339 g/mol
SMILES C1(OC(=O)c2c1cccc2)=C(SCC#N)SCC#N
SPLASH splash10-0udi-1290000000-1318c978602d238b02b2
Source of Spectrum AH-128-376-2
Wiley ID 1291358