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3-pyridinecarboxamide, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-oxo-2-(phenylamino)ethyl]thio]-N-phenyl-
SpectraBase Compound ID 9E1804g6vMH
InChI InChI=1S/C28H23ClN4O2S/c1-18-25(27(35)33-20-12-6-3-7-13-20)26(21-14-8-9-15-23(21)29)22(16-30)28(31-18)36-17-24(34)32-19-10-4-2-5-11-19/h2-15,26,31H,17H2,1H3,(H,32,34)(H,33,35)
InChIKey NLTSUYZQUJKEJO-UHFFFAOYSA-N
Mol Weight 515.03 g/mol
Molecular Formula C28H23ClN4O2S
Exact Mass 514.123025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GnwMVRnBABM
Name 3-pyridinecarboxamide, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-oxo-2-(phenylamino)ethyl]thio]-N-phenyl-
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/C28H23ClN4O2S/c1-18-25(27(35)33-20-12-6-3-7-13-20)26(21-14-8-9-15-23(21)29)22(16-30)28(31-18)36-17-24(34)32-19-10-4-2-5-11-19/h2-15,26,31H,17H2,1H3,(H,32,34)(H,33,35)
InChIKey NLTSUYZQUJKEJO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2112
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/11238382