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

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3-pyridinecarboxylic acid, 5-cyano-4-(2-fluorophenyl)-6-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-1,2,3,4-tetrahydro-2-oxo-, methyl ester
SpectraBase Compound ID H3biwE4Hyha
InChI InChI=1S/C22H17F2N3O4S/c1-31-22(30)19-18(14-4-2-3-5-16(14)24)15(10-25)21(27-20(19)29)32-11-17(28)26-13-8-6-12(23)7-9-13/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)
InChIKey KECHZCQOLHDEOO-UHFFFAOYSA-N
Mol Weight 457.45 g/mol
Molecular Formula C22H17F2N3O4S
Exact Mass 457.090784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6gjXNguBk0c
Name 3-pyridinecarboxylic acid, 5-cyano-4-(2-fluorophenyl)-6-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-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/C22H17F2N3O4S/c1-31-22(30)19-18(14-4-2-3-5-16(14)24)15(10-25)21(27-20(19)29)32-11-17(28)26-13-8-6-12(23)7-9-13/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)
InChIKey KECHZCQOLHDEOO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2346
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/11238679