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3-pyridinecarboxamide, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-2-methyl-N-phenyl-

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3-pyridinecarboxamide, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-2-methyl-N-phenyl-
SpectraBase Compound ID CFZCOqDeBnZ
InChI InChI=1S/C29H24ClN3O3S/c1-18-26(28(35)33-20-8-4-3-5-9-20)27(22-10-6-7-11-24(22)30)23(16-31)29(32-18)37-17-25(34)19-12-14-21(36-2)15-13-19/h3-15,27,32H,17H2,1-2H3,(H,33,35)
InChIKey XLJAMQKOVXSRCA-UHFFFAOYSA-N
Mol Weight 530.04 g/mol
Molecular Formula C29H24ClN3O3S
Exact Mass 529.122691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ISIXVc41Inw
Name 3-pyridinecarboxamide, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-2-methyl-N-phenyl-
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/C29H24ClN3O3S/c1-18-26(28(35)33-20-8-4-3-5-9-20)27(22-10-6-7-11-24(22)30)23(16-31)29(32-18)37-17-25(34)19-12-14-21(36-2)15-13-19/h3-15,27,32H,17H2,1-2H3,(H,33,35)
InChIKey XLJAMQKOVXSRCA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2154
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/11238437