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3-pyridinecarboxamide, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-
SpectraBase Compound ID HoaWxs6H5V5
InChI InChI=1S/C23H19ClN4O2S/c1-13-5-3-4-6-18(13)28-22(30)20-14(2)27-23(31-12-19(26)29)17(11-25)21(20)15-7-9-16(24)10-8-15/h3-10H,12H2,1-2H3,(H2,26,29)(H,28,30)
InChIKey SAYLIYLRJVWQIO-UHFFFAOYSA-N
Mol Weight 450.94 g/mol
Molecular Formula C23H19ClN4O2S
Exact Mass 450.091725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5KQJwSnnFHz
Name 3-pyridinecarboxamide, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-
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/C23H19ClN4O2S/c1-13-5-3-4-6-18(13)28-22(30)20-14(2)27-23(31-12-19(26)29)17(11-25)21(20)15-7-9-16(24)10-8-15/h3-10H,12H2,1-2H3,(H2,26,29)(H,28,30)
InChIKey SAYLIYLRJVWQIO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2257
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/11238560