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(4Z)-4-[4-(benzyloxy)-3-methoxybenzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID KXawbgy7orm
InChI InChI=1S/C25H22N2O3/c1-18-22(25(28)27(26-18)21-11-7-4-8-12-21)15-20-13-14-23(24(16-20)29-2)30-17-19-9-5-3-6-10-19/h3-16H,17H2,1-2H3/b22-15-
InChIKey RCWAQLXCPZPFOB-JCMHNJIXSA-N
Mol Weight 398.46 g/mol
Molecular Formula C25H22N2O3
Exact Mass 398.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5czARxk1B2I
Name (4Z)-4-[4-(Benzyloxy)-3-methoxybenzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.163042573 u
Formula C25H22N2O3
InChI InChI=1S/C25H22N2O3/c1-18-22(25(28)27(26-18)21-11-7-4-8-12-21)15-20-13-14-23(24(16-20)29-2)30-17-19-9-5-3-6-10-19/h3-16H,17H2,1-2H3/b22-15-
InChIKey RCWAQLXCPZPFOB-JCMHNJIXSA-N
Molecular Weight 398.462 g/mol
SMILES C1(\C(C(=NN1C=1C=CC=CC1)C)=C/C=1C=C(OC)C(=CC1)OCC1=CC=CC=C1)=O