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3-pyridinecarboxamide, 4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]-

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3-pyridinecarboxamide, 4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]-
SpectraBase Compound ID LX2amT6hefQ
InChI InChI=1S/C29H23Cl2N3O2S/c1-17-7-9-19(10-8-17)25(35)16-37-29-23(15-32)27(22-5-3-4-6-24(22)31)26(18(2)33-29)28(36)34-21-13-11-20(30)12-14-21/h3-14,27,33H,16H2,1-2H3,(H,34,36)
InChIKey QKZAMZQQQAUSAU-UHFFFAOYSA-N
Mol Weight 548.49 g/mol
Molecular Formula C29H23Cl2N3O2S
Exact Mass 547.088804 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2FvL1smql3o
Name 3-pyridinecarboxamide, 4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]-
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/C29H23Cl2N3O2S/c1-17-7-9-19(10-8-17)25(35)16-37-29-23(15-32)27(22-5-3-4-6-24(22)31)26(18(2)33-29)28(36)34-21-13-11-20(30)12-14-21/h3-14,27,33H,16H2,1-2H3,(H,34,36)
InChIKey QKZAMZQQQAUSAU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2313
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/9253105; Labnumber: DVD-0000061
Temperature 303 °C