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2-(1,3-dithian-2-ylidene)-3-keto-3-phenyl-propionitrile
SpectraBase Compound ID Gr7OtAainWm
InChI InChI=1S/C13H11NOS2/c14-9-11(13-16-7-4-8-17-13)12(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey AFSSAHOZKULCBJ-UHFFFAOYSA-N
Mol Weight 261.36 g/mol
Molecular Formula C13H11NOS2
Exact Mass 261.028206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hYLcp9Z9sk
Name 2-(1,3-dithian-2-ylidene)-3-keto-3-phenyl-propionitrile
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11NOS2
InChI InChI=1S/C13H11NOS2/c14-9-11(13-16-7-4-8-17-13)12(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey AFSSAHOZKULCBJ-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 261.356 g/mol
Solvent CDCl3
Source File Reference UWVN21714