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3-pyridinecarboxamide, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-N-(2-methylphenyl)-6-(methylthio)-
SpectraBase Compound ID 7OT3pwafo4V
InChI InChI=1S/C22H20ClN3OS/c1-13-8-4-7-11-18(13)26-21(27)19-14(2)25-22(28-3)16(12-24)20(19)15-9-5-6-10-17(15)23/h4-11,20,25H,1-3H3,(H,26,27)
InChIKey AUKKCWILOQMGBL-UHFFFAOYSA-N
Mol Weight 409.94 g/mol
Molecular Formula C22H20ClN3OS
Exact Mass 409.101561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 64e9RRJQthO
Name 3-pyridinecarboxamide, 4-(2-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-N-(2-methylphenyl)-6-(methylthio)-
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/C22H20ClN3OS/c1-13-8-4-7-11-18(13)26-21(27)19-14(2)25-22(28-3)16(12-24)20(19)15-9-5-6-10-17(15)23/h4-11,20,25H,1-3H3,(H,26,27)
InChIKey AUKKCWILOQMGBL-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2348
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/9253233; Labnumber: KR-0000088
Temperature 303 °C