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(4Z)-4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-methylphenyl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

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(4Z)-4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-methylphenyl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID CTh6pUmS9kr
InChI InChI=1S/C28H24N4O2/c1-18-14-16-21(17-15-18)26(24-19(2)29-31(27(24)33)22-10-6-4-7-11-22)25-20(3)30-32(28(25)34)23-12-8-5-9-13-23/h4-17,33H,1-3H3/b26-25-
InChIKey AZOYKGBWKQTBGG-QPLCGJKRSA-N
Mol Weight 448.53 g/mol
Molecular Formula C28H24N4O2
Exact Mass 448.189926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fUkonnaF9M
Name (4Z)-4-[(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-methylphenyl)methylene]-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 448.189926027 u
Formula C28H24N4O2
InChI InChI=1S/C28H24N4O2/c1-18-14-16-21(17-15-18)26(24-19(2)29-31(27(24)33)22-10-6-4-7-11-22)25-20(3)30-32(28(25)34)23-12-8-5-9-13-23/h4-17,33H,1-3H3/b26-25-
InChIKey AZOYKGBWKQTBGG-QPLCGJKRSA-N
Molecular Weight 448.526 g/mol
SMILES C1(=C(N(C=2C=CC=CC2)N=C1C)O)\C(=C/1C(N(C=2C=CC=CC2)N=C1C)=O)C1=CC=C(C=C1)C