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4-(1,5-Dibenzoyl-5-hydroxy-4,5-dihydro-1H-pyrazol-3-yl)benzonitrile
SpectraBase Compound ID 3y6SDgDa9Rf
InChI InChI=1S/C24H17N3O3/c25-16-17-11-13-18(14-12-17)21-15-24(30,22(28)19-7-3-1-4-8-19)27(26-21)23(29)20-9-5-2-6-10-20/h1-14,30H,15H2
InChIKey AUZYXIBPEPXMGW-UHFFFAOYSA-N
Mol Weight 395.42 g/mol
Molecular Formula C24H17N3O3
Exact Mass 395.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVZOOsKPp5q
Name 4-(1,5-Dibenzoyl-5-hydroxy-4,5-dihydro-1H-pyrazol-3-yl)benzonitrile
Appearance Colorless solid
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Formula C24H17N3O3
InChI InChI=1S/C24H17N3O3/c25-16-17-11-13-18(14-12-17)21-15-24(30,22(28)19-7-3-1-4-8-19)27(26-21)23(29)20-9-5-2-6-10-20/h1-14,30H,15H2
InChIKey AUZYXIBPEPXMGW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.136
Molecular Weight 395.418 g/mol
SMILES OC1(C(c2ccccc2)=O)N(N=C(C1)c1ccc(cc1)C#N)C(=O)c1ccccc1
SPLASH splash10-0ab9-1390000000-aa9d3bdf5523afcf2af8
Source of Spectrum BJO-15-SM17-5o
Thin-Layer Chromatography Rf = 0.28 (petroleum ether/ethyl acetate, 4:1)
Wiley ID 1840937