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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOnBSqOWxNj
Name 3-[BIS-(CYANOMETHYLTHIO)-METHYLENE]-3H-ISOBENZOFURAN-1-ONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author T.GILDENAST,W.DOELLING
Literature Reference Citation MH.CHEM.,128,371(1997)
Literature Reference DOI 10.1007/BF00810773
Molecular Weight 288.339 g/mol
Solvent Unknown
Source File Reference UWCS15903