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

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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-, phenylmethyl ester
SpectraBase Compound ID 6mxfiotTdte
InChI InChI=1S/C30H26ClN3O3S/c1-19-8-6-7-11-25(19)34-26(35)18-38-29-24(16-32)28(22-12-14-23(31)15-13-22)27(20(2)33-29)30(36)37-17-21-9-4-3-5-10-21/h3-15,28,33H,17-18H2,1-2H3,(H,34,35)
InChIKey HSKQKBNFOODWKV-UHFFFAOYSA-N
Mol Weight 544.07 g/mol
Molecular Formula C30H26ClN3O3S
Exact Mass 543.138341 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9mpmFjQxJHu
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-, 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/C30H26ClN3O3S/c1-19-8-6-7-11-25(19)34-26(35)18-38-29-24(16-32)28(22-12-14-23(31)15-13-22)27(20(2)33-29)30(36)37-17-21-9-4-3-5-10-21/h3-15,28,33H,17-18H2,1-2H3,(H,34,35)
InChIKey HSKQKBNFOODWKV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2225
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/11238522