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3-pyridinecarboxylic acid, 1-(4-fluorophenyl)-4-[[(4-fluorophenyl)amino]carbonyl]-1,4,5,6-tetrahydro-2-methyl-6-oxo-, methyl ester
SpectraBase Compound ID Fgg9s5kge0u
InChI InChI=1S/C21H18F2N2O4/c1-12-19(21(28)29-2)17(20(27)24-15-7-3-13(22)4-8-15)11-18(26)25(12)16-9-5-14(23)6-10-16/h3-10,17H,11H2,1-2H3,(H,24,27)
InChIKey FGIXFPYIJVWSCN-UHFFFAOYSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H18F2N2O4
Exact Mass 400.123463 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6xxZCfMgYpu
Name 3-pyridinecarboxylic acid, 1-(4-fluorophenyl)-4-[[(4-fluorophenyl)amino]carbonyl]-1,4,5,6-tetrahydro-2-methyl-6-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/C21H18F2N2O4/c1-12-19(21(28)29-2)17(20(27)24-15-7-3-13(22)4-8-15)11-18(26)25(12)16-9-5-14(23)6-10-16/h3-10,17H,11H2,1-2H3,(H,24,27)
InChIKey FGIXFPYIJVWSCN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6093
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/18211170; Labnumber: VGY0126710