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3-pyridinecarboxamide, 5-cyano-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-4-(2-furanyl)-1,4-dihydro-2-methyl-N-phenyl-

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3-pyridinecarboxamide, 5-cyano-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-4-(2-furanyl)-1,4-dihydro-2-methyl-N-phenyl-
SpectraBase Compound ID BfKRpvPLIaD
InChI InChI=1S/C28H26N4O3S/c1-3-19-10-7-8-13-22(19)32-24(33)17-36-28-21(16-29)26(23-14-9-15-35-23)25(18(2)30-28)27(34)31-20-11-5-4-6-12-20/h4-15,26,30H,3,17H2,1-2H3,(H,31,34)(H,32,33)
InChIKey LMQBAQAVNSNAIG-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C28H26N4O3S
Exact Mass 498.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HVof8Fgj9yW
Name 3-pyridinecarboxamide, 5-cyano-6-[[2-[(2-ethylphenyl)amino]-2-oxoethyl]thio]-4-(2-furanyl)-1,4-dihydro-2-methyl-N-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.172561884 u
Formula C28H26N4O3S
InChI InChI=1S/C28H26N4O3S/c1-3-19-10-7-8-13-22(19)32-24(33)17-36-28-21(16-29)26(23-14-9-15-35-23)25(18(2)30-28)27(34)31-20-11-5-4-6-12-20/h4-15,26,30H,3,17H2,1-2H3,(H,31,34)(H,32,33)
InChIKey LMQBAQAVNSNAIG-UHFFFAOYSA-N
Molecular Weight 498.601 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10443
Solvent DMSO-d6
Source Vendor ID: NMR/10211939; Lab Info: KR; Lab Number: KR-KSG0050
Temperature 23.85 °C