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2-Cyano-3,3-bis(methylthio)-1-(3-nitro-phenyl)-prop-2-en-1-one
SpectraBase Compound ID G789XsZiL9U
InChI InChI=1S/C12H10N2O3S2/c1-18-12(19-2)10(7-13)11(15)8-4-3-5-9(6-8)14(16)17/h3-6H,1-2H3
InChIKey ZYYCSEOFLQESSZ-UHFFFAOYSA-N
Mol Weight 294.34 g/mol
Molecular Formula C12H10N2O3S2
Exact Mass 294.013285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cffy4j6vCqS
Name 2-Cyano-3,3-bis(methylthio)-1-(3-nitro-phenyl)-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 C12H10N2O3S2
InChI InChI=1S/C12H10N2O3S2/c1-18-12(19-2)10(7-13)11(15)8-4-3-5-9(6-8)14(16)17/h3-6H,1-2H3
InChIKey ZYYCSEOFLQESSZ-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