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3-pyridinecarboxylic acid, 6-[[2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-4-(2-methoxyphenyl)-2-oxo-, methyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[[2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-4-(2-methoxyphenyl)-2-oxo-, methyl ester
SpectraBase Compound ID 9ppQyw5n9jL
InChI InChI=1S/C25H24ClN3O7S/c1-33-17-8-6-5-7-13(17)21-14(11-27)24(29-23(31)22(21)25(32)36-4)37-12-20(30)28-16-10-18(34-2)15(26)9-19(16)35-3/h5-10,21-22H,12H2,1-4H3,(H,28,30)(H,29,31)
InChIKey AAPYCGNFECCVTL-UHFFFAOYSA-N
Mol Weight 545.99 g/mol
Molecular Formula C25H24ClN3O7S
Exact Mass 545.102349 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1az2SJwUB8s
Name 3-pyridinecarboxylic acid, 6-[[2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-4-(2-methoxyphenyl)-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/C25H24ClN3O7S/c1-33-17-8-6-5-7-13(17)21-14(11-27)24(29-23(31)22(21)25(32)36-4)37-12-20(30)28-16-10-18(34-2)15(26)9-19(16)35-3/h5-10,21-22H,12H2,1-4H3,(H,28,30)(H,29,31)
InChIKey AAPYCGNFECCVTL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2295
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/11238613