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2-(1,3-dithiolan-2-ylidene)-3-phenyl-3-thioxo-propionitrile
SpectraBase Compound ID AAdm2uKqLJK
InChI InChI=1S/C12H9NS3/c13-8-10(12-15-6-7-16-12)11(14)9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey RTTQKOUGASXCTB-UHFFFAOYSA-N
Mol Weight 263.39 g/mol
Molecular Formula C12H9NS3
Exact Mass 262.989713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mMM9zUYj5a
Name 2-(1,3-dithiolan-2-ylidene)-3-phenyl-3-thioxo-propionitrile
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9NS3
InChI InChI=1S/C12H9NS3/c13-8-10(12-15-6-7-16-12)11(14)9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey RTTQKOUGASXCTB-UHFFFAOYSA-N
Literature Reference Author E.KLEINPETER,S.KLOD,W.D.RUDORF
Literature Reference Citation J.ORG.CHEM.,69,4317(2004)
Literature Reference DOI 10.1021/jo0496345
Molecular Weight 263.390 g/mol
Solvent CDCl3
Source File Reference UWVN21717