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

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3-pyridinecarboxylic acid, 6-[[2-[(4-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,2,3,4-tetrahydro-4-(2-methoxyphenyl)-2-oxo-, methyl ester
SpectraBase Compound ID 8GxNqzHMWx4
InChI InChI=1S/C23H20BrN3O5S/c1-31-17-6-4-3-5-15(17)19-16(11-25)22(27-21(29)20(19)23(30)32-2)33-12-18(28)26-14-9-7-13(24)8-10-14/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)
InChIKey SQAZATCCYKEXJP-UHFFFAOYSA-N
Mol Weight 530.39 g/mol
Molecular Formula C23H20BrN3O5S
Exact Mass 529.030705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LrdNy5pejAZ
Name 3-pyridinecarboxylic acid, 6-[[2-[(4-bromophenyl)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/C23H20BrN3O5S/c1-31-17-6-4-3-5-15(17)19-16(11-25)22(27-21(29)20(19)23(30)32-2)33-12-18(28)26-14-9-7-13(24)8-10-14/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)
InChIKey SQAZATCCYKEXJP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2098
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/11238366