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3-pyridinecarboxylic acid, 6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-4-(2-methylpropyl)-, ethyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-4-(2-methylpropyl)-, ethyl ester
SpectraBase Compound ID A0NBCVyOGfP
InChI InChI=1S/C22H25ClN2O3S/c1-5-28-22(27)20-14(4)25-21(18(11-24)17(20)10-13(2)3)29-12-19(26)15-6-8-16(23)9-7-15/h6-9,13,17,25H,5,10,12H2,1-4H3
InChIKey KAXAEXCEEATYFA-UHFFFAOYSA-N
Mol Weight 432.97 g/mol
Molecular Formula C22H25ClN2O3S
Exact Mass 432.127442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H1lFP2sIsX7
Name 3-pyridinecarboxylic acid, 6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-4-(2-methylpropyl)-, 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/C22H25ClN2O3S/c1-5-28-22(27)20-14(4)25-21(18(11-24)17(20)10-13(2)3)29-12-19(26)15-6-8-16(23)9-7-15/h6-9,13,17,25H,5,10,12H2,1-4H3
InChIKey KAXAEXCEEATYFA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2109
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/11238379