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

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3-pyridinecarboxylic acid, 5-cyano-6-[[2-[(3,4-dimethylphenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-4-(2-methoxyphenyl)-2-oxo-, ethyl ester
SpectraBase Compound ID DaOTnURWeXX
InChI InChI=1S/C26H27N3O5S/c1-5-34-26(32)23-22(18-8-6-7-9-20(18)33-4)19(13-27)25(29-24(23)31)35-14-21(30)28-17-11-10-15(2)16(3)12-17/h6-12,22-23H,5,14H2,1-4H3,(H,28,30)(H,29,31)
InChIKey GRBOEEOQEYRHBF-UHFFFAOYSA-N
Mol Weight 493.58 g/mol
Molecular Formula C26H27N3O5S
Exact Mass 493.167142 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cpk36dePc3K
Name 3-pyridinecarboxylic acid, 5-cyano-6-[[2-[(3,4-dimethylphenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-4-(2-methoxyphenyl)-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/C26H27N3O5S/c1-5-34-26(32)23-22(18-8-6-7-9-20(18)33-4)19(13-27)25(29-24(23)31)35-14-21(30)28-17-11-10-15(2)16(3)12-17/h6-12,22-23H,5,14H2,1-4H3,(H,28,30)(H,29,31)
InChIKey GRBOEEOQEYRHBF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2358
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/11238691