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3-pyridinecarboxylic acid, 6-[[(4-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-[[(4-chlorophenyl)methyl]thio]-5-cyano-4-(4-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, methyl ester
SpectraBase Compound ID E3uulblrspz
InChI InChI=1S/C23H21ClN2O4S/c1-3-30-17-10-6-15(7-11-17)19-18(12-25)22(26-21(27)20(19)23(28)29-2)31-13-14-4-8-16(24)9-5-14/h4-11,19-20H,3,13H2,1-2H3,(H,26,27)
InChIKey ZGGQNSGYMAMCAE-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 LSVXuz5PsHW
Name 3-pyridinecarboxylic acid, 6-[[(4-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/c1-3-30-17-10-6-15(7-11-17)19-18(12-25)22(26-21(27)20(19)23(28)29-2)31-13-14-4-8-16(24)9-5-14/h4-11,19-20H,3,13H2,1-2H3,(H,26,27)
InChIKey ZGGQNSGYMAMCAE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2290
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/11238600