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6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-N-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide
SpectraBase Compound ID BrV5BWxwsUr
InChI InChI=1S/C28H23Cl2N5O2S/c1-16-3-6-21(13-23(16)30)34-24(36)15-38-28-22(14-31)26(18-9-11-32-12-10-18)25(17(2)33-28)27(37)35-20-7-4-19(29)5-8-20/h3-13,26,33H,15H2,1-2H3,(H,34,36)(H,35,37)
InChIKey QUBHLYPIRFXZKG-UHFFFAOYSA-N
Mol Weight 564.49 g/mol
Molecular Formula C28H23Cl2N5O2S
Exact Mass 563.094952 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F6OasVRRhQu
Name 6-((2-((3-chloro-4-methylphenyl)amino)-2-oxoethyl)thio)-N-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxamide
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/C28H23Cl2N5O2S/c1-16-3-6-21(13-23(16)30)34-24(36)15-38-28-22(14-31)26(18-9-11-32-12-10-18)25(17(2)33-28)27(37)35-20-7-4-19(29)5-8-20/h3-13,26,33H,15H2,1-2H3,(H,34,36)(H,35,37)
InChIKey QUBHLYPIRFXZKG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2452
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/11238813