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

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3-pyridinecarboxylic acid, 6-[[2-[(3-acetylphenyl)amino]-2-oxoethyl]thio]-4-(4-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-2-oxo-, methyl ester
SpectraBase Compound ID 43fSkegcXh4
InChI InChI=1S/C24H20ClN3O5S/c1-13(29)15-4-3-5-17(10-15)27-19(30)12-34-23-18(11-26)20(14-6-8-16(25)9-7-14)21(22(31)28-23)24(32)33-2/h3-10,20-21H,12H2,1-2H3,(H,27,30)(H,28,31)
InChIKey QUSBIZXLIREHLQ-UHFFFAOYSA-N
Mol Weight 497.95 g/mol
Molecular Formula C24H20ClN3O5S
Exact Mass 497.08122 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DV4m56zZb8z
Name 3-pyridinecarboxylic acid, 6-[[2-[(3-acetylphenyl)amino]-2-oxoethyl]thio]-4-(4-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/C24H20ClN3O5S/c1-13(29)15-4-3-5-17(10-15)27-19(30)12-34-23-18(11-26)20(14-6-8-16(25)9-7-14)21(22(31)28-23)24(32)33-2/h3-10,20-21H,12H2,1-2H3,(H,27,30)(H,28,31)
InChIKey QUSBIZXLIREHLQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2158
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/11238442