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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-[(4-methoxyphenyl)amino]-2-oxoethyl]thio]-2-methyl-, phenylmethyl ester

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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-[(4-methoxyphenyl)amino]-2-oxoethyl]thio]-2-methyl-, phenylmethyl ester
SpectraBase Compound ID Ldt3EuelzRS
InChI InChI=1S/C30H26ClN3O4S/c1-19-27(30(36)38-17-20-6-4-3-5-7-20)28(21-8-10-22(31)11-9-21)25(16-32)29(33-19)39-18-26(35)34-23-12-14-24(37-2)15-13-23/h3-15,28,33H,17-18H2,1-2H3,(H,34,35)
InChIKey NVXFCDZSZYUWIQ-UHFFFAOYSA-N
Mol Weight 560.07 g/mol
Molecular Formula C30H26ClN3O4S
Exact Mass 559.133255 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1JHTkYCsVt8
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-[(4-methoxyphenyl)amino]-2-oxoethyl]thio]-2-methyl-, phenylmethyl ester
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/C30H26ClN3O4S/c1-19-27(30(36)38-17-20-6-4-3-5-7-20)28(21-8-10-22(31)11-9-21)25(16-32)29(33-19)39-18-26(35)34-23-12-14-24(37-2)15-13-23/h3-15,28,33H,17-18H2,1-2H3,(H,34,35)
InChIKey NVXFCDZSZYUWIQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2187
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/11238475