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3-pyridinecarboxamide, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-2-methyl-N-phenyl-
SpectraBase Compound ID FX2VwYVZcWP
InChI InChI=1S/C30H25ClN4O2S/c1-3-20-9-7-8-12-25(20)35-26(36)18-38-30-24(17-32)28(21-13-15-22(31)16-14-21)27(19(2)33-30)29(37)34-23-10-5-4-6-11-23/h4-16H,3,18H2,1-2H3,(H,34,37)(H,35,36)
InChIKey HPWJRVZENLKKAK-UHFFFAOYSA-N
Mol Weight 541.07 g/mol
Molecular Formula C30H25ClN4O2S
Exact Mass 540.138675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9cvffrHLdqI
Name 3-pyridinecarboxamide, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-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/C30H25ClN4O2S/c1-3-20-9-7-8-12-25(20)35-26(36)18-38-30-24(17-32)28(21-13-15-22(31)16-14-21)27(19(2)33-30)29(37)34-23-10-5-4-6-11-23/h4-16H,3,18H2,1-2H3,(H,34,37)(H,35,36)
InChIKey HPWJRVZENLKKAK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2215
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/11238507