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

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3-pyridinecarboxylic acid, 6-[[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]thio]-4-(2-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-2-oxo-, methyl ester
SpectraBase Compound ID 7QgNMhIs9Hp
InChI InChI=1S/C23H19Cl2N3O4S/c1-12-15(24)8-5-9-17(12)27-18(29)11-33-22-14(10-26)19(13-6-3-4-7-16(13)25)20(21(30)28-22)23(31)32-2/h3-9,19-20H,11H2,1-2H3,(H,27,29)(H,28,30)
InChIKey UDHBEMMWYHNWMS-UHFFFAOYSA-N
Mol Weight 504.39 g/mol
Molecular Formula C23H19Cl2N3O4S
Exact Mass 503.047333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 43bhfxk4LXW
Name 3-pyridinecarboxylic acid, 6-[[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]thio]-4-(2-chlorophenyl)-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/C23H19Cl2N3O4S/c1-12-15(24)8-5-9-17(12)27-18(29)11-33-22-14(10-26)19(13-6-3-4-7-16(13)25)20(21(30)28-22)23(31)32-2/h3-9,19-20H,11H2,1-2H3,(H,27,29)(H,28,30)
InChIKey UDHBEMMWYHNWMS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2284
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/11238592