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

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3-pyridinecarboxamide, 6-[[2-[(4-bromophenyl)amino]-2-oxoethyl]thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-
SpectraBase Compound ID CTfYFElB0uY
InChI InChI=1S/C29H22BrClN4O2S/c1-17-5-3-4-6-24(17)35-28(37)26-18(2)33-29(23(15-32)27(26)19-7-11-21(31)12-8-19)38-16-25(36)34-22-13-9-20(30)10-14-22/h3-14H,16H2,1-2H3,(H,34,36)(H,35,37)
InChIKey LJGIWNSHUBPDFV-UHFFFAOYSA-N
Mol Weight 605.94 g/mol
Molecular Formula C29H22BrClN4O2S
Exact Mass 604.033538 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DlFHSKLmZnz
Name 3-pyridinecarboxamide, 6-[[2-[(4-bromophenyl)amino]-2-oxoethyl]thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-
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/C29H22BrClN4O2S/c1-17-5-3-4-6-24(17)35-28(37)26-18(2)33-29(23(15-32)27(26)19-7-11-21(31)12-8-19)38-16-25(36)34-22-13-9-20(30)10-14-22/h3-14H,16H2,1-2H3,(H,34,36)(H,35,37)
InChIKey LJGIWNSHUBPDFV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2248
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/11238550