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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[[2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-2-oxo-4-(3,4,5-trimethoxyphenyl)-, methyl ester
SpectraBase Compound ID FSC786b5j3a
InChI InChI=1S/C26H26ClN3O7S/c1-13-6-7-15(10-17(13)27)29-20(31)12-38-25-16(11-28)21(22(24(32)30-25)26(33)37-5)14-8-18(34-2)23(36-4)19(9-14)35-3/h6-10,21-22H,12H2,1-5H3,(H,29,31)(H,30,32)
InChIKey YSNGWBPWLIADHZ-UHFFFAOYSA-N
Mol Weight 560.02 g/mol
Molecular Formula C26H26ClN3O7S
Exact Mass 559.117999 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C0JCyoUOQC5
Name 3-pyridinecarboxylic acid, 6-[[2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-2-oxo-4-(3,4,5-trimethoxyphenyl)-, 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/C26H26ClN3O7S/c1-13-6-7-15(10-17(13)27)29-20(31)12-38-25-16(11-28)21(22(24(32)30-25)26(33)37-5)14-8-18(34-2)23(36-4)19(9-14)35-3/h6-10,21-22H,12H2,1-5H3,(H,29,31)(H,30,32)
InChIKey YSNGWBPWLIADHZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2313
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/11238640