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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-4-[4-(1-methylethyl)phenyl]-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-2-oxo-, methyl ester
SpectraBase Compound ID 6jvX6y7hTM0
InChI InChI=1S/C26H27N3O4S/c1-15(2)17-9-11-18(12-10-17)22-19(13-27)25(29-24(31)23(22)26(32)33-4)34-14-21(30)28-20-8-6-5-7-16(20)3/h5-12,15,22-23H,14H2,1-4H3,(H,28,30)(H,29,31)
InChIKey OATFRVKDUYMCGM-UHFFFAOYSA-N
Mol Weight 477.58 g/mol
Molecular Formula C26H27N3O4S
Exact Mass 477.172228 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kr6zDxAh8J9
Name 3-pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-4-[4-(1-methylethyl)phenyl]-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-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/C26H27N3O4S/c1-15(2)17-9-11-18(12-10-17)22-19(13-27)25(29-24(31)23(22)26(32)33-4)34-14-21(30)28-20-8-6-5-7-16(20)3/h5-12,15,22-23H,14H2,1-4H3,(H,28,30)(H,29,31)
InChIKey OATFRVKDUYMCGM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2170
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/11238455