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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[(2-oxo-2-phenylethyl)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-phenylethyl)thio]-, phenylmethyl ester
SpectraBase Compound ID 4FeiPfKjqrC
InChI InChI=1S/C29H23ClN2O3S/c1-19-26(29(34)35-17-20-8-4-2-5-9-20)27(22-12-14-23(30)15-13-22)24(16-31)28(32-19)36-18-25(33)21-10-6-3-7-11-21/h2-15,27,32H,17-18H2,1H3
InChIKey SAZSSKWASTYUMV-UHFFFAOYSA-N
Mol Weight 515.03 g/mol
Molecular Formula C29H23ClN2O3S
Exact Mass 514.111791 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FHkEAK5Z0D3
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[(2-oxo-2-phenylethyl)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/C29H23ClN2O3S/c1-19-26(29(34)35-17-20-8-4-2-5-9-20)27(22-12-14-23(30)15-13-22)24(16-31)28(32-19)36-18-25(33)21-10-6-3-7-11-21/h2-15,27,32H,17-18H2,1H3
InChIKey SAZSSKWASTYUMV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2224
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/11238521