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3-pyridinecarboxamide, 4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[(2-oxo-2-phenylethyl)thio]-
SpectraBase Compound ID 2fsBHfJNF9h
InChI InChI=1S/C28H21Cl2N3O2S/c1-17-25(27(35)33-20-13-11-19(29)12-14-20)26(21-9-5-6-10-23(21)30)22(15-31)28(32-17)36-16-24(34)18-7-3-2-4-8-18/h2-14,26,32H,16H2,1H3,(H,33,35)
InChIKey YQGGXRRXXUFFGA-UHFFFAOYSA-N
Mol Weight 534.46 g/mol
Molecular Formula C28H21Cl2N3O2S
Exact Mass 533.073154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID sLP4BAtDBn
Name 3-pyridinecarboxamide, 4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[(2-oxo-2-phenylethyl)thio]-
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/C28H21Cl2N3O2S/c1-17-25(27(35)33-20-13-11-19(29)12-14-20)26(21-9-5-6-10-23(21)30)22(15-31)28(32-17)36-16-24(34)18-7-3-2-4-8-18/h2-14,26,32H,16H2,1H3,(H,33,35)
InChIKey YQGGXRRXXUFFGA-UHFFFAOYSA-N
NMR Offset 18.5111
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_CB_8313_2255
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/9248158; Labnumber: *0866345*
Temperature 323 °C