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3,3-Bis(4-chloro-benzylthio)-2-cyano-1-phenyl-prop-2-en-1-one
SpectraBase Compound ID 3Wk1NB5fEVR
InChI InChI=1S/C24H17Cl2NOS2/c25-20-10-6-17(7-11-20)15-29-24(30-16-18-8-12-21(26)13-9-18)22(14-27)23(28)19-4-2-1-3-5-19/h1-13H,15-16H2
InChIKey QJJNGZYFUMVKSU-UHFFFAOYSA-N
Mol Weight 470.43 g/mol
Molecular Formula C24H17Cl2NOS2
Exact Mass 469.012862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEIkCcN4ZKr
Name 3,3-Bis(4-chloro-benzylthio)-2-cyano-1-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 C24H17Cl2NOS2
InChI InChI=1S/C24H17Cl2NOS2/c25-20-10-6-17(7-11-20)15-29-24(30-16-18-8-12-21(26)13-9-18)22(14-27)23(28)19-4-2-1-3-5-19/h1-13H,15-16H2
InChIKey QJJNGZYFUMVKSU-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