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3-pyridinecarboxamide, 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-
SpectraBase Compound ID 4pRSKGd7dO1
InChI InChI=1S/C29H21BrClN3O2S/c1-17-7-3-6-10-24(17)34-28(36)26-18(2)33-29(37-16-25(35)19-11-13-20(30)14-12-19)22(15-32)27(26)21-8-4-5-9-23(21)31/h3-14H,16H2,1-2H3,(H,34,36)
InChIKey JUCNOARVLARPEG-UHFFFAOYSA-N
Mol Weight 590.92 g/mol
Molecular Formula C29H21BrClN3O2S
Exact Mass 589.022639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4PLK3zRJyj5
Name 3-pyridinecarboxamide, 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-4-(2-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/C29H21BrClN3O2S/c1-17-7-3-6-10-24(17)34-28(36)26-18(2)33-29(37-16-25(35)19-11-13-20(30)14-12-19)22(15-32)27(26)21-8-4-5-9-23(21)31/h3-14H,16H2,1-2H3,(H,34,36)
InChIKey JUCNOARVLARPEG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2107
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/11238375