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3-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)-3-thioxo-propionitrile
SpectraBase Compound ID JDIc8dSohWK
InChI InChI=1S/C12H8ClNS3/c13-9-3-1-8(2-4-9)11(15)10(7-14)12-16-5-6-17-12/h1-4H,5-6H2
InChIKey NQCZVGIOJFAYFW-UHFFFAOYSA-N
Mol Weight 297.84 g/mol
Molecular Formula C12H8ClNS3
Exact Mass 296.95074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4LirGbFxUv
Name 3-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)-3-thioxo-propionitrile
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8ClNS3
InChI InChI=1S/C12H8ClNS3/c13-9-3-1-8(2-4-9)11(15)10(7-14)12-16-5-6-17-12/h1-4H,5-6H2
InChIKey NQCZVGIOJFAYFW-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 297.835 g/mol
Solvent CDCl3
Source File Reference UWVN21718