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

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3-pyridinecarboxamide, N-(4-chlorophenyl)-6-[[2-[(3-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(4-methoxyphenyl)-2-methyl-
SpectraBase Compound ID ChKbTzuPICQ
InChI InChI=1S/C29H22Cl2N4O3S/c1-17-26(28(37)35-21-10-8-19(30)9-11-21)27(18-6-12-23(38-2)13-7-18)24(15-32)29(33-17)39-16-25(36)34-22-5-3-4-20(31)14-22/h3-14H,16H2,1-2H3,(H,34,36)(H,35,37)
InChIKey VQEDTLPQGRMUEJ-UHFFFAOYSA-N
Mol Weight 577.49 g/mol
Molecular Formula C29H22Cl2N4O3S
Exact Mass 576.078967 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LkUnf856O7B
Name 3-pyridinecarboxamide, N-(4-chlorophenyl)-6-[[2-[(3-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(4-methoxyphenyl)-2-methyl-
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/C29H22Cl2N4O3S/c1-17-26(28(37)35-21-10-8-19(30)9-11-21)27(18-6-12-23(38-2)13-7-18)24(15-32)29(33-17)39-16-25(36)34-22-5-3-4-20(31)14-22/h3-14H,16H2,1-2H3,(H,34,36)(H,35,37)
InChIKey VQEDTLPQGRMUEJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2325
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/11238653