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5{4-[5-(2-Hydroxyphenyl)-1-phenylpyrazolyl]}-3-(4-methylphenyl)-1-phenyl-2-pyrazoline
SpectraBase Compound ID 7n2yiUdsx0b
InChI InChI=1S/C31H26N4O/c1-22-16-18-23(19-17-22)28-20-29(34(33-28)24-10-4-2-5-11-24)27-21-32-35(25-12-6-3-7-13-25)31(27)26-14-8-9-15-30(26)36/h2-19,21,29,36H,20H2,1H3
InChIKey GFNPREPJCUZXOK-UHFFFAOYSA-N
Mol Weight 470.58 g/mol
Molecular Formula C31H26N4O
Exact Mass 470.210661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzYvnUu6VLU
Name 5{4-[5-(2-Hydroxyphenyl)-1-phenylpyrazolyl]}-3-(4-methylphenyl)-1-phenyl-2-pyrazoline
Appearance White needles
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Formula C31H26N4O
InChI InChI=1S/C31H26N4O/c1-22-16-18-23(19-17-22)28-20-29(34(33-28)24-10-4-2-5-11-24)27-21-32-35(25-12-6-3-7-13-25)31(27)26-14-8-9-15-30(26)36/h2-19,21,29,36H,20H2,1H3
InChIKey GFNPREPJCUZXOK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.522
Molecular Weight 470.576 g/mol
SMILES Oc1ccccc1-c1[n](ncc1C1N(N=C(C1)c1ccc(cc1)C)c1ccccc1)-c1ccccc1
SPLASH splash10-006x-9030700000-5adcca86e7db3cbc2f4b
Sample Comments Mixture of diastereomers
Source of Spectrum ARK-2012-274-2b
Wiley ID 1864630