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1-(3,4-Dichloro-phenyl)-2-cyano-3,3-bis(methylthio)-prop-2-en-1-one

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1-(3,4-Dichloro-phenyl)-2-cyano-3,3-bis(methylthio)-prop-2-en-1-one
SpectraBase Compound ID JWIvqJfIj66
InChI InChI=1S/C12H9Cl2NOS2/c1-17-12(18-2)8(6-15)11(16)7-3-4-9(13)10(14)5-7/h3-5H,1-2H3
InChIKey ZENHEEFVEJISPD-UHFFFAOYSA-N
Mol Weight 318.24 g/mol
Molecular Formula C12H9Cl2NOS2
Exact Mass 316.950262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98bOsgHHm7n
Name 1-(3,4-Dichloro-phenyl)-2-cyano-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 C12H9Cl2NOS2
InChI InChI=1S/C12H9Cl2NOS2/c1-17-12(18-2)8(6-15)11(16)7-3-4-9(13)10(14)5-7/h3-5H,1-2H3
InChIKey ZENHEEFVEJISPD-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