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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[[(4-chlorophenyl)methyl]thio]-5-cyano-4-(2-fluorophenyl)-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
SpectraBase Compound ID 7iSvrMqMh54
InChI InChI=1S/C22H18ClFN2O3S/c1-2-29-22(28)19-18(15-5-3-4-6-17(15)24)16(11-25)21(26-20(19)27)30-12-13-7-9-14(23)10-8-13/h3-10,18-19H,2,12H2,1H3,(H,26,27)
InChIKey XIODGRVNNHNXAB-UHFFFAOYSA-N
Mol Weight 444.91 g/mol
Molecular Formula C22H18ClFN2O3S
Exact Mass 444.071069 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1yjMcw6Gdh6
Name 3-pyridinecarboxylic acid, 6-[[(4-chlorophenyl)methyl]thio]-5-cyano-4-(2-fluorophenyl)-1,2,3,4-tetrahydro-2-oxo-, ethyl 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/C22H18ClFN2O3S/c1-2-29-22(28)19-18(15-5-3-4-6-17(15)24)16(11-25)21(26-20(19)27)30-12-13-7-9-14(23)10-8-13/h3-10,18-19H,2,12H2,1H3,(H,26,27)
InChIKey XIODGRVNNHNXAB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2305
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/11238628