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3-(4-Fluorophenyl)-5-{4-[5-(2-hydroxyphenyl)-1-phenylpyrazolyl]}-1-phenyl-2-pyrazoline
SpectraBase Compound ID BYglE0Mlo0V
InChI InChI=1S/C30H23FN4O/c31-22-17-15-21(16-18-22)27-19-28(34(33-27)23-9-3-1-4-10-23)26-20-32-35(24-11-5-2-6-12-24)30(26)25-13-7-8-14-29(25)36/h1-18,20,28,36H,19H2
InChIKey CZHIQEBDSZRBGW-UHFFFAOYSA-N
Mol Weight 474.54 g/mol
Molecular Formula C30H23FN4O
Exact Mass 474.18559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRRG7D1gnlC
Name 3-(4-Fluorophenyl)-5-{4-[5-(2-hydroxyphenyl)-1-phenylpyrazolyl]}-1-phenyl-2-pyrazoline
Appearance Pale yellow needles
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Formula C30H23FN4O
InChI InChI=1S/C30H23FN4O/c31-22-17-15-21(16-18-22)27-19-28(34(33-27)23-9-3-1-4-10-23)26-20-32-35(24-11-5-2-6-12-24)30(26)25-13-7-8-14-29(25)36/h1-18,20,28,36H,19H2
InChIKey CZHIQEBDSZRBGW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.522
Molecular Weight 474.539 g/mol
SMILES Oc1ccccc1-c1[n](ncc1C1N(N=C(C1)c1ccc(cc1)F)c1ccccc1)-c1ccccc1
SPLASH splash10-004l-9000100000-cb9d4d6b6aa28e83cb0e
Sample Comments Mixture of diastereomers
Source of Spectrum ARK-2012-275-2d
Wiley ID 1864632