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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-, methyl 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-, methyl ester
SpectraBase Compound ID 8tXWZKoGNkB
InChI InChI=1S/C25H25N3O5S/c1-14-9-10-16(11-15(14)2)27-20(29)13-34-24-18(12-26)21(17-7-5-6-8-19(17)32-3)22(23(30)28-24)25(31)33-4/h5-11,21-22H,13H2,1-4H3,(H,27,29)(H,28,30)
InChIKey VLGCNIUJRVEJBD-UHFFFAOYSA-N
Mol Weight 479.55 g/mol
Molecular Formula C25H25N3O5S
Exact Mass 479.151492 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2G1kQaI5epk
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-, 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/C25H25N3O5S/c1-14-9-10-16(11-15(14)2)27-20(29)13-34-24-18(12-26)21(17-7-5-6-8-19(17)32-3)22(23(30)28-24)25(31)33-4/h5-11,21-22H,13H2,1-4H3,(H,27,29)(H,28,30)
InChIKey VLGCNIUJRVEJBD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2348
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/11238681