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

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3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-6-[[2-[(3-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-2-oxo-, methyl ester
SpectraBase Compound ID DxOsHtQXmAZ
InChI InChI=1S/C22H17Cl2N3O4S/c1-31-22(30)19-18(14-7-2-3-8-16(14)24)15(10-25)21(27-20(19)29)32-11-17(28)26-13-6-4-5-12(23)9-13/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)
InChIKey FOBUQBFXWHFLJS-UHFFFAOYSA-N
Mol Weight 490.36 g/mol
Molecular Formula C22H17Cl2N3O4S
Exact Mass 489.031683 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ROVo3MkFQw
Name 3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-6-[[2-[(3-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-2-oxo-, 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/C22H17Cl2N3O4S/c1-31-22(30)19-18(14-7-2-3-8-16(14)24)15(10-25)21(27-20(19)29)32-11-17(28)26-13-6-4-5-12(23)9-13/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)
InChIKey FOBUQBFXWHFLJS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2288
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/11238597