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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(2,4-dimethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, phenylmethyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(2,4-dimethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, phenylmethyl ester
SpectraBase Compound ID LKWe9T7ltzR
InChI InChI=1S/C31H28ClN3O3S/c1-19-9-14-26(20(2)15-19)35-27(36)18-39-30-25(16-33)29(23-10-12-24(32)13-11-23)28(21(3)34-30)31(37)38-17-22-7-5-4-6-8-22/h4-15,29,34H,17-18H2,1-3H3,(H,35,36)
InChIKey WCABAIKPWCMQEO-UHFFFAOYSA-N
Mol Weight 558.1 g/mol
Molecular Formula C31H28ClN3O3S
Exact Mass 557.153991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L4AjEiFhcwb
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(2,4-dimethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, phenylmethyl ester
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/C31H28ClN3O3S/c1-19-9-14-26(20(2)15-19)35-27(36)18-39-30-25(16-33)29(23-10-12-24(32)13-11-23)28(21(3)34-30)31(37)38-17-22-7-5-4-6-8-22/h4-15,29,34H,17-18H2,1-3H3,(H,35,36)
InChIKey WCABAIKPWCMQEO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2184
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/11238471