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3-pyridinecarboxamide, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(3,4-dimethylphenyl)amino]-2-oxoethyl]thio]-2-methyl-N-(2-methylphenyl)-

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3-pyridinecarboxamide, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(3,4-dimethylphenyl)amino]-2-oxoethyl]thio]-2-methyl-N-(2-methylphenyl)-
SpectraBase Compound ID 3WGJ2ReKMQ1
InChI InChI=1S/C31H27ClN4O2S/c1-18-9-14-24(15-20(18)3)35-27(37)17-39-31-25(16-33)29(22-10-12-23(32)13-11-22)28(21(4)34-31)30(38)36-26-8-6-5-7-19(26)2/h5-15H,17H2,1-4H3,(H,35,37)(H,36,38)
InChIKey JGMAHEWQNIPUDW-UHFFFAOYSA-N
Mol Weight 555.1 g/mol
Molecular Formula C31H27ClN4O2S
Exact Mass 554.154325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5QACUcMxmeS
Name 3-pyridinecarboxamide, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(3,4-dimethylphenyl)amino]-2-oxoethyl]thio]-2-methyl-N-(2-methylphenyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H27ClN4O2S/c1-18-9-14-24(15-20(18)3)35-27(37)17-39-31-25(16-33)29(22-10-12-23(32)13-11-22)28(21(4)34-31)30(38)36-26-8-6-5-7-19(26)2/h5-15H,17H2,1-4H3,(H,35,37)(H,36,38)
InChIKey JGMAHEWQNIPUDW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2254
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11238557