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ALPHA-1,3-DITHIOLAN-2-YLIDENE-BETA-OXO-BENZENEPROPANENITRILE

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ALPHA-1,3-DITHIOLAN-2-YLIDENE-BETA-OXO-BENZENEPROPANENITRILE
SpectraBase Compound ID 9PkqetCY3Xx
InChI InChI=1S/C12H9NOS2/c13-8-10(12-15-6-7-16-12)11(14)9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey LQUWOBOEBIMLML-UHFFFAOYSA-N
Mol Weight 247.33 g/mol
Molecular Formula C12H9NOS2
Exact Mass 247.012556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KhpcSmbxfpw
Name 2-Cyano-1-phenyl-2-(1,3-dithiolan-2-ylidene)-ethanone
Comments 20 MHZ OR 50 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9NOS2
InChI InChI=1S/C12H9NOS2/c13-8-10(12-15-6-7-16-12)11(14)9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey LQUWOBOEBIMLML-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