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

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3-pyridinecarboxylic acid, 5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-1,2,3,4-tetrahydro-4-(4-methylphenyl)-2-oxo-, methyl ester
SpectraBase Compound ID 4nEdL59WFxM
InChI InChI=1S/C19H20N2O5S/c1-4-26-14(22)10-27-18-13(9-20)15(12-7-5-11(2)6-8-12)16(17(23)21-18)19(24)25-3/h5-8,15-16H,4,10H2,1-3H3,(H,21,23)
InChIKey MRGOIXJTSQMIPQ-UHFFFAOYSA-N
Mol Weight 388.44 g/mol
Molecular Formula C19H20N2O5S
Exact Mass 388.109293 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9frU89gr25h
Name 3-pyridinecarboxylic acid, 5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-1,2,3,4-tetrahydro-4-(4-methylphenyl)-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/C19H20N2O5S/c1-4-26-14(22)10-27-18-13(9-20)15(12-7-5-11(2)6-8-12)16(17(23)21-18)19(24)25-3/h5-8,15-16H,4,10H2,1-3H3,(H,21,23)
InChIKey MRGOIXJTSQMIPQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2260
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/11238563