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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, methyl ester
SpectraBase Compound ID KRX0OqUIh8g
InChI InChI=1S/C25H24ClN3O3S/c1-4-16-9-11-17(12-10-16)29-21(30)14-33-24-19(13-27)23(18-7-5-6-8-20(18)26)22(15(2)28-24)25(31)32-3/h5-12,23,28H,4,14H2,1-3H3,(H,29,30)
InChIKey BJXJMCMHQUNFLW-UHFFFAOYSA-N
Mol Weight 482.0 g/mol
Molecular Formula C25H24ClN3O3S
Exact Mass 481.122691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6kogl1Ba9Ag
Name 3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, 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/C25H24ClN3O3S/c1-4-16-9-11-17(12-10-16)29-21(30)14-33-24-19(13-27)23(18-7-5-6-8-20(18)26)22(15(2)28-24)25(31)32-3/h5-12,23,28H,4,14H2,1-3H3,(H,29,30)
InChIKey BJXJMCMHQUNFLW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2164
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/11238449