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6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-furyl)-2-methyl-N-phenyl-1,4-dihydro-3-pyridinecarboxamide

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6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-furyl)-2-methyl-N-phenyl-1,4-dihydro-3-pyridinecarboxamide
SpectraBase Compound ID 2gyLwmW0aaF
InChI InChI=1S/C27H23ClN4O3S/c1-16-10-11-19(13-21(16)28)31-23(33)15-36-27-20(14-29)25(22-9-6-12-35-22)24(17(2)30-27)26(34)32-18-7-4-3-5-8-18/h3-13,25,30H,15H2,1-2H3,(H,31,33)(H,32,34)
InChIKey DCFJMLJOYXLODS-UHFFFAOYSA-N
Mol Weight 519.02 g/mol
Molecular Formula C27H23ClN4O3S
Exact Mass 518.117939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A0LYqrgMhlx
Name 6-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-furyl)-2-methyl-N-phenyl-1,4-dihydro-3-pyridinecarboxamide
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/C27H23ClN4O3S/c1-16-10-11-19(13-21(16)28)31-23(33)15-36-27-20(14-29)25(22-9-6-12-35-22)24(17(2)30-27)26(34)32-18-7-4-3-5-8-18/h3-13,25,30H,15H2,1-2H3,(H,31,33)(H,32,34)
InChIKey DCFJMLJOYXLODS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3334
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/10211898; Labnumber: KR-KSG1G08
Temperature 303 °C