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1-(5-Benzoyl-5-hydroxy-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2,2- dimethylpropan-1-one
SpectraBase Compound ID JhbN9vDJLS4
InChI InChI=1S/C21H22N2O3/c1-20(2,3)19(25)23-21(26,18(24)16-12-8-5-9-13-16)14-17(22-23)15-10-6-4-7-11-15/h4-13,26H,14H2,1-3H3
InChIKey WPPZVOWMNOBQEL-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZVnn27kiMt
Name 1-(5-Benzoyl-5-hydroxy-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2,2- dimethylpropan-1-one
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-20(2,3)19(25)23-21(26,18(24)16-12-8-5-9-13-16)14-17(22-23)15-10-6-4-7-11-15/h4-13,26H,14H2,1-3H3
InChIKey WPPZVOWMNOBQEL-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.136
Molecular Weight 350.418 g/mol
SMILES OC1(N(N=C(C1)c1ccccc1)C(=O)C(C)(C)C)C(c1ccccc1)=O
SPLASH splash10-0a4i-2920000000-fa51ba1b7cbf05a9a859
Source of Spectrum BJO-15-SM14-5j
Thin-Layer Chromatography Rf = 0.47 (petroleum ether/ethyl acetate, 4:1)
Wiley ID 1840932