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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-, phenylmethyl ester
SpectraBase Compound ID 5ah0rPUS3RF
InChI InChI=1S/C23H20ClN3O3S/c1-14-20(23(29)30-12-15-5-3-2-4-6-15)21(16-7-9-17(24)10-8-16)18(11-25)22(27-14)31-13-19(26)28/h2-10,21,27H,12-13H2,1H3,(H2,26,28)
InChIKey CBLAMWBQZQVZLZ-UHFFFAOYSA-N
Mol Weight 453.94 g/mol
Molecular Formula C23H20ClN3O3S
Exact Mass 453.09139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EUiPwtiWwAu
Name 3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-, 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/C23H20ClN3O3S/c1-14-20(23(29)30-12-15-5-3-2-4-6-15)21(16-7-9-17(24)10-8-16)18(11-25)22(27-14)31-13-19(26)28/h2-10,21,27H,12-13H2,1H3,(H2,26,28)
InChIKey CBLAMWBQZQVZLZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2175
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/11238461