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3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-[(3-methoxyphenyl)amino]-2-oxoethyl]thio]-2-methyl-, methyl ester
SpectraBase Compound ID HbrxLDNc5DC
InChI InChI=1S/C24H22ClN3O4S/c1-14-21(24(30)32-3)22(17-9-4-5-10-19(17)25)18(12-26)23(27-14)33-13-20(29)28-15-7-6-8-16(11-15)31-2/h4-11,22,27H,13H2,1-3H3,(H,28,29)
InChIKey CLPOFONOYNJWQY-UHFFFAOYSA-N
Mol Weight 483.97 g/mol
Molecular Formula C24H22ClN3O4S
Exact Mass 483.101955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CUuhtXXj5v4
Name 3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-[(3-methoxyphenyl)amino]-2-oxoethyl]thio]-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/C24H22ClN3O4S/c1-14-21(24(30)32-3)22(17-9-4-5-10-19(17)25)18(12-26)23(27-14)33-13-20(29)28-15-7-6-8-16(11-15)31-2/h4-11,22,27H,13H2,1-3H3,(H,28,29)
InChIKey CLPOFONOYNJWQY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2289
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/11238599