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3-pyridinecarboxylic acid, 6-[[2-[(4-acetylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-4-[4-(1-methylethyl)phenyl]-2-oxo-, methyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[[2-[(4-acetylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-4-[4-(1-methylethyl)phenyl]-2-oxo-, methyl ester
SpectraBase Compound ID JzIA7YFwIxF
InChI InChI=1S/C27H27N3O5S/c1-15(2)17-5-7-19(8-6-17)23-21(13-28)26(30-25(33)24(23)27(34)35-4)36-14-22(32)29-20-11-9-18(10-12-20)16(3)31/h5-12,15,23-24H,14H2,1-4H3,(H,29,32)(H,30,33)
InChIKey ITHPGXPEAFBZFP-UHFFFAOYSA-N
Mol Weight 505.59 g/mol
Molecular Formula C27H27N3O5S
Exact Mass 505.167142 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Tk292OWwOa
Name 3-pyridinecarboxylic acid, 6-[[2-[(4-acetylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-4-[4-(1-methylethyl)phenyl]-2-oxo-, methyl 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/C27H27N3O5S/c1-15(2)17-5-7-19(8-6-17)23-21(13-28)26(30-25(33)24(23)27(34)35-4)36-14-22(32)29-20-11-9-18(10-12-20)16(3)31/h5-12,15,23-24H,14H2,1-4H3,(H,29,32)(H,30,33)
InChIKey ITHPGXPEAFBZFP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2171
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/11238457