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2-Cyano-1-(4-methoxy-phenyl)-3,3-bis(methylthio)-prop-2-en-1-one
SpectraBase Compound ID FO1KTWXgnaK
InChI InChI=1S/C13H13NO2S2/c1-16-10-6-4-9(5-7-10)12(15)11(8-14)13(17-2)18-3/h4-7H,1-3H3
InChIKey ZDJAFJFCFYXUKV-UHFFFAOYSA-N
Mol Weight 279.37 g/mol
Molecular Formula C13H13NO2S2
Exact Mass 279.038771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IsTo5ic3igU
Name 2-Cyano-1-(4-methoxy-phenyl)-3,3-bis(methylthio)-prop-2-en-1-one
Comments 20 MHZ OR 50 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H13NO2S2
InChI InChI=1S/C13H13NO2S2/c1-16-10-6-4-9(5-7-10)12(15)11(8-14)13(17-2)18-3/h4-7H,1-3H3
InChIKey ZDJAFJFCFYXUKV-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