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(2E)-3-(1-benzyl-3-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(2,5-dimethoxyphenyl)-2-propenamide
SpectraBase Compound ID 7yUXgVJ6fNh
InChI InChI=1S/C28H24N4O3/c1-34-24-13-14-26(35-2)25(16-24)30-28(33)22(17-29)15-23-19-32(18-20-9-5-3-6-10-20)31-27(23)21-11-7-4-8-12-21/h3-16,19H,18H2,1-2H3,(H,30,33)/b22-15+
InChIKey KQIKDLGMKLIDGQ-PXLXIMEGSA-N
Mol Weight 464.53 g/mol
Molecular Formula C28H24N4O3
Exact Mass 464.184841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1aOzpL2xosh
Name (2E)-3-(1-Benzyl-3-phenyl-1H-pyrazol-4-yl)-2-cyano-N-(2,5-dimethoxyphenyl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.184840646 u
Formula C28H24N4O3
InChI InChI=1S/C28H24N4O3/c1-34-24-13-14-26(35-2)25(16-24)30-28(33)22(17-29)15-23-19-32(18-20-9-5-3-6-10-20)31-27(23)21-11-7-4-8-12-21/h3-16,19H,18H2,1-2H3,(H,30,33)/b22-15+
InChIKey KQIKDLGMKLIDGQ-PXLXIMEGSA-N
Molecular Weight 464.525 g/mol
SMILES N(C(\C(=C\C=1C(=NN(C1)CC1=CC=CC=C1)C=1C=CC=CC1)C#N)=O)C1=CC(OC)=CC=C1OC