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3-pyridinecarboxylic acid, 6-[[(2-chlorophenyl)methyl]thio]-5-cyano-4-(4-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, methyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[[(2-chlorophenyl)methyl]thio]-5-cyano-4-(4-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, methyl ester
SpectraBase Compound ID J7hQM43BGI5
InChI InChI=1S/C23H21ClN2O4S/c1-3-30-16-10-8-14(9-11-16)19-17(12-25)22(26-21(27)20(19)23(28)29-2)31-13-15-6-4-5-7-18(15)24/h4-11,19-20H,3,13H2,1-2H3,(H,26,27)
InChIKey YMCULQYXIUWNNT-UHFFFAOYSA-N
Mol Weight 456.94 g/mol
Molecular Formula C23H21ClN2O4S
Exact Mass 456.091056 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4fsNi5IFLcf
Name 3-pyridinecarboxylic acid, 6-[[(2-chlorophenyl)methyl]thio]-5-cyano-4-(4-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, methyl 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/C23H21ClN2O4S/c1-3-30-16-10-8-14(9-11-16)19-17(12-25)22(26-21(27)20(19)23(28)29-2)31-13-15-6-4-5-7-18(15)24/h4-11,19-20H,3,13H2,1-2H3,(H,26,27)
InChIKey YMCULQYXIUWNNT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2303
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/11238625