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3-pyridinecarboxamide, 6-[[2-[(4-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenyl-
SpectraBase Compound ID 3myus3xjejF
InChI InChI=1S/C29H23ClN4O3S/c1-18-26(28(36)34-21-6-4-3-5-7-21)27(19-8-14-23(37-2)15-9-19)24(16-31)29(32-18)38-17-25(35)33-22-12-10-20(30)11-13-22/h3-15H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey OQGRSKGSCWEJTF-UHFFFAOYSA-N
Mol Weight 543.04 g/mol
Molecular Formula C29H23ClN4O3S
Exact Mass 542.117939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AtJB7kRmijz
Name 3-pyridinecarboxamide, 6-[[2-[(4-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenyl-
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/C29H23ClN4O3S/c1-18-26(28(36)34-21-6-4-3-5-7-21)27(19-8-14-23(37-2)15-9-19)24(16-31)29(32-18)38-17-25(35)33-22-12-10-20(30)11-13-22/h3-15H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey OQGRSKGSCWEJTF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2244
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/11238545