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6-(4-CHLOROPHENYL)-5-CYANO-2-METHYL-(4H)-1,3-DITHIACYCLOHEXENE-4-THIONE
SpectraBase Compound ID 62SpfDlEyHs
InChI InChI=1S/C12H8ClNS3/c1-7-16-11(10(6-14)12(15)17-7)8-2-4-9(13)5-3-8/h2-5,7H,1H3
InChIKey VQPXMZXQLFKUER-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 FVfZRZo7CeA
Name 6-(4-CHLOROPHENYL)-5-CYANO-2-METHYL-(4H)-1,3-DITHIACYCLOHEXENE-4-THIONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8ClNS3
InChI InChI=1S/C12H8ClNS3/c1-7-16-11(10(6-14)12(15)17-7)8-2-4-9(13)5-3-8/h2-5,7H,1H3
InChIKey VQPXMZXQLFKUER-UHFFFAOYSA-N
Literature Reference Author M.D.KHIDRE,A.A.KAMEL,W.M.ABDOU
Literature Reference Citation J.HETCYCL.CHEM.,42,103(2005)
Literature Reference DOI 10.1002/jhet.5570420114
Molecular Weight 297.835 g/mol
Sample ID 42310
Solvent CDCl3