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

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3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, 2-methoxyethyl ester
SpectraBase Compound ID 7bB4eA7cLaB
InChI InChI=1S/C27H28ClN3O4S/c1-4-18-9-5-8-12-22(18)31-23(32)16-36-26-20(15-29)25(19-10-6-7-11-21(19)28)24(17(2)30-26)27(33)35-14-13-34-3/h5-12,25,30H,4,13-14,16H2,1-3H3,(H,31,32)
InChIKey CTGCXHLMSSVEEC-UHFFFAOYSA-N
Mol Weight 526.05 g/mol
Molecular Formula C27H28ClN3O4S
Exact Mass 525.148905 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 63Bgm1gKyk4
Name 3-pyridinecarboxylic acid, 4-(2-chlorophenyl)-5-cyano-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, 2-methoxyethyl 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/C27H28ClN3O4S/c1-4-18-9-5-8-12-22(18)31-23(32)16-36-26-20(15-29)25(19-10-6-7-11-21(19)28)24(17(2)30-26)27(33)35-14-13-34-3/h5-12,25,30H,4,13-14,16H2,1-3H3,(H,31,32)
InChIKey CTGCXHLMSSVEEC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2221
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/11238516