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1-(5-Benzoyl-5-hydroxy-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-methylpropan-1- one
SpectraBase Compound ID EPUbD0v5TdE
InChI InChI=1S/C20H20N2O3/c1-14(2)19(24)22-20(25,18(23)16-11-7-4-8-12-16)13-17(21-22)15-9-5-3-6-10-15/h3-12,14,25H,13H2,1-2H3
InChIKey LBEDGOUUJGVAST-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C20H20N2O3
Exact Mass 336.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4GMPgoBE5T
Name 1-(5-Benzoyl-5-hydroxy-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-methylpropan-1- one
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O3
InChI InChI=1S/C20H20N2O3/c1-14(2)19(24)22-20(25,18(23)16-11-7-4-8-12-16)13-17(21-22)15-9-5-3-6-10-15/h3-12,14,25H,13H2,1-2H3
InChIKey LBEDGOUUJGVAST-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.136
Molecular Weight 336.391 g/mol
SMILES OC1(N(N=C(C1)c1ccccc1)C(=O)C(C)C)C(c1ccccc1)=O
SPLASH splash10-03di-1930000000-0f21a76e0d159fa9e03f
Source of Spectrum BJO-15-SM13-5h
Thin-Layer Chromatography Rf = 0.19 (petroleum ether/ethyl acetate, 6:1)
Wiley ID 1840930