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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(4-methylphenyl)amino]-2-oxoethyl]thio]-, methyl ester
SpectraBase Compound ID 3b5ESDbW39W
InChI InChI=1S/C24H22ClN3O3S/c1-14-8-10-16(11-9-14)28-20(29)13-32-23-18(12-26)22(17-6-4-5-7-19(17)25)21(15(2)27-23)24(30)31-3/h4-11,22,27H,13H2,1-3H3,(H,28,29)
InChIKey RDOOROSDPKMLEU-UHFFFAOYSA-N
Mol Weight 467.97 g/mol
Molecular Formula C24H22ClN3O3S
Exact Mass 467.10704 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9tmqqQXgryS
Name 3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(4-methylphenyl)amino]-2-oxoethyl]thio]-, methyl 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/C24H22ClN3O3S/c1-14-8-10-16(11-9-14)28-20(29)13-32-23-18(12-26)22(17-6-4-5-7-19(17)25)21(15(2)27-23)24(30)31-3/h4-11,22,27H,13H2,1-3H3,(H,28,29)
InChIKey RDOOROSDPKMLEU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2207
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/11238499