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

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3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-6-[[2-[(2,3-dimethylphenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
SpectraBase Compound ID B7JCS6sNizQ
InChI InChI=1S/C25H24ClN3O4S/c1-4-33-25(32)22-21(16-9-5-6-10-18(16)26)17(12-27)24(29-23(22)31)34-13-20(30)28-19-11-7-8-14(2)15(19)3/h5-11,21-22H,4,13H2,1-3H3,(H,28,30)(H,29,31)
InChIKey BBIHCQXVRYOLGN-UHFFFAOYSA-N
Mol Weight 498.0 g/mol
Molecular Formula C25H24ClN3O4S
Exact Mass 497.117605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9nH7JaqcSVy
Name 3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-6-[[2-[(2,3-dimethylphenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-2-oxo-, ethyl 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/C25H24ClN3O4S/c1-4-33-25(32)22-21(16-9-5-6-10-18(16)26)17(12-27)24(29-23(22)31)34-13-20(30)28-19-11-7-8-14(2)15(19)3/h5-11,21-22H,4,13H2,1-3H3,(H,28,30)(H,29,31)
InChIKey BBIHCQXVRYOLGN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2272
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/11238577