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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-oxo-2-(phenylamino)ethyl]thio]-, phenylmethyl ester
SpectraBase Compound ID 7mLSAg3BSgr
InChI InChI=1S/C29H24ClN3O3S/c1-19-26(29(35)36-17-20-8-4-2-5-9-20)27(21-12-14-22(30)15-13-21)24(16-31)28(32-19)37-18-25(34)33-23-10-6-3-7-11-23/h2-15,27,32H,17-18H2,1H3,(H,33,34)
InChIKey KEYCCIZEWHTWRU-UHFFFAOYSA-N
Mol Weight 530.04 g/mol
Molecular Formula C29H24ClN3O3S
Exact Mass 529.122691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LbHNzRjjti5
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-oxo-2-(phenylamino)ethyl]thio]-, phenylmethyl 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/C29H24ClN3O3S/c1-19-26(29(35)36-17-20-8-4-2-5-9-20)27(21-12-14-22(30)15-13-21)24(16-31)28(32-19)37-18-25(34)33-23-10-6-3-7-11-23/h2-15,27,32H,17-18H2,1H3,(H,33,34)
InChIKey KEYCCIZEWHTWRU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2181
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/11238467