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

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3-pyridinecarboxamide, 6-[[2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(4-methoxyphenyl)-2-methyl-N-phenyl-
SpectraBase Compound ID 9z48pbqkq5T
InChI InChI=1S/C31H27ClN4O5S/c1-18-28(30(38)35-20-8-6-5-7-9-20)29(19-10-12-21(39-2)13-11-19)22(16-33)31(34-18)42-17-27(37)36-24-15-25(40-3)23(32)14-26(24)41-4/h5-15H,17H2,1-4H3,(H,35,38)(H,36,37)
InChIKey BVJHCKONBWFTQY-UHFFFAOYSA-N
Mol Weight 603.09 g/mol
Molecular Formula C31H27ClN4O5S
Exact Mass 602.139069 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DsbQrfF9XmU
Name 3-pyridinecarboxamide, 6-[[2-[(4-chloro-2,5-dimethoxyphenyl)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/C31H27ClN4O5S/c1-18-28(30(38)35-20-8-6-5-7-9-20)29(19-10-12-21(39-2)13-11-19)22(16-33)31(34-18)42-17-27(37)36-24-15-25(40-3)23(32)14-26(24)41-4/h5-15H,17H2,1-4H3,(H,35,38)(H,36,37)
InChIKey BVJHCKONBWFTQY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2317
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/11238645