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2-(1,3-dithian-2-ylidene)-3-keto-3-phenyl-propionitrile

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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 8YMickSbilR
Name 2-Cyano-1-phenyl-2-(1,3-dithian-2-ylidene)-ethanone
Comments 20 MHZ OR 50 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name see comment
Literature Reference G. Fischer, W-D. Rudorf, E. Kleinpeter, Magn. Res. Chem. 29, 212 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3