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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 5-cyano-4-(2-fluorophenyl)-1,2,3,4-tetrahydro-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-2-oxo-, methyl ester
SpectraBase Compound ID 9paCYSxePKQ
InChI InChI=1S/C23H20FN3O4S/c1-13-7-3-6-10-17(13)26-18(28)12-32-22-15(11-25)19(14-8-4-5-9-16(14)24)20(21(29)27-22)23(30)31-2/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)
InChIKey BFXJLXXNBJEXTG-UHFFFAOYSA-N
Mol Weight 453.49 g/mol
Molecular Formula C23H20FN3O4S
Exact Mass 453.115855 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4ZzHHBaZpUI
Name 3-pyridinecarboxylic acid, 5-cyano-4-(2-fluorophenyl)-1,2,3,4-tetrahydro-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-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/C23H20FN3O4S/c1-13-7-3-6-10-17(13)26-18(28)12-32-22-15(11-25)19(14-8-4-5-9-16(14)24)20(21(29)27-22)23(30)31-2/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)
InChIKey BFXJLXXNBJEXTG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2339
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/11238672