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2-propenamide, 2-cyano-3-[5-(4-methylphenyl)-2-furanyl]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-, (2E)-
SpectraBase Compound ID 80xrOa8cTE
InChI InChI=1S/C25H20N4O2/c1-17-8-10-19(11-9-17)23-13-12-22(31-23)15-20(16-26)25(30)27-24-14-18(2)28-29(24)21-6-4-3-5-7-21/h3-15H,1-2H3,(H,27,30)/b20-15+
InChIKey AQUFGDHBRGGNLS-HMMYKYKNSA-N
Mol Weight 408.46 g/mol
Molecular Formula C25H20N4O2
Exact Mass 408.158626 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7yHyayVrufZ
Name 2-propenamide, 2-cyano-3-[5-(4-methylphenyl)-2-furanyl]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.158625898 u
Formula C25H20N4O2
InChI InChI=1S/C25H20N4O2/c1-17-8-10-19(11-9-17)23-13-12-22(31-23)15-20(16-26)25(30)27-24-14-18(2)28-29(24)21-6-4-3-5-7-21/h3-15H,1-2H3,(H,27,30)/b20-15+
InChIKey AQUFGDHBRGGNLS-HMMYKYKNSA-N
Molecular Weight 408.461 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9208
Solvent DMSO-d6
Source Vendor ID: NMR/9245054; Lab Info: OBU; Lab Number: OBU-B000031