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

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3-pyridinecarboxamide, 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[[2-[[4-(1-methylethyl)phenyl]amino]-2-oxoethyl]thio]-N-phenyl-
SpectraBase Compound ID IXRbQMsyS5Q
InChI InChI=1S/C31H27ClN4O2S/c1-19(2)21-11-15-25(16-12-21)35-27(37)18-39-31-26(17-33)29(22-9-13-23(32)14-10-22)28(20(3)34-31)30(38)36-24-7-5-4-6-8-24/h4-16,19H,18H2,1-3H3,(H,35,37)(H,36,38)
InChIKey RIAHRBHYLBMZEY-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 3p5hGrFSpXM
Name 3-pyridinecarboxamide, 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[[2-[[4-(1-methylethyl)phenyl]amino]-2-oxoethyl]thio]-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/C31H27ClN4O2S/c1-19(2)21-11-15-25(16-12-21)35-27(37)18-39-31-26(17-33)29(22-9-13-23(32)14-10-22)28(20(3)34-31)30(38)36-24-7-5-4-6-8-24/h4-16,19H,18H2,1-3H3,(H,35,37)(H,36,38)
InChIKey RIAHRBHYLBMZEY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2265
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/11238569