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3-pyridinecarboxylic acid, 5-cyano-4-(2-ethoxyphenyl)-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 5-cyano-4-(2-ethoxyphenyl)-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
SpectraBase Compound ID 4WsZ5Lzgvj7
InChI InChI=1S/C27H29N3O5S/c1-4-17-11-7-9-13-20(17)29-22(31)16-36-26-19(15-28)23(18-12-8-10-14-21(18)34-5-2)24(25(32)30-26)27(33)35-6-3/h7-14,23-24H,4-6,16H2,1-3H3,(H,29,31)(H,30,32)
InChIKey LNDVTZQSBQJWSB-UHFFFAOYSA-N
Mol Weight 507.61 g/mol
Molecular Formula C27H29N3O5S
Exact Mass 507.182792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J4VuXUC09pF
Name 3-pyridinecarboxylic acid, 5-cyano-4-(2-ethoxyphenyl)-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-2-oxo-, ethyl 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/C27H29N3O5S/c1-4-17-11-7-9-13-20(17)29-22(31)16-36-26-19(15-28)23(18-12-8-10-14-21(18)34-5-2)24(25(32)30-26)27(33)35-6-3/h7-14,23-24H,4-6,16H2,1-3H3,(H,29,31)(H,30,32)
InChIKey LNDVTZQSBQJWSB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2191
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/11238479