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1-(3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazole
SpectraBase Compound ID Lvt5MSxotJo
InChI InChI=1S/C25H15F9N2/c1-14-2-4-16(5-3-14)21-13-22(25(32,33)34)35-36(21)20-8-6-15(7-9-20)17-10-18(23(26,27)28)12-19(11-17)24(29,30)31/h2-13H,1H3
InChIKey MBEFITUJOIKJBI-UHFFFAOYSA-N
Mol Weight 514.39 g/mol
Molecular Formula C25H15F9N2
Exact Mass 514.109152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HldCLodPmgO
Name 1-(3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-5-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H15F9N2
InChI InChI=1S/C25H15F9N2/c1-14-2-4-16(5-3-14)21-13-22(25(32,33)34)35-36(21)20-8-6-15(7-9-20)17-10-18(23(26,27)28)12-19(11-17)24(29,30)31/h2-13H,1H3
InChIKey MBEFITUJOIKJBI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202005282
Molecular Weight 514.395 g/mol
SMILES C(C=1C=C(C=C(C1)C(F)(F)F)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(C=C1)C)C(F)(F)F)(F)(F)F
SPLASH splash10-03di-0010290000-555d643aff8fdfd84e47
Source of Spectrum QE-27-SM23-2v (DOI: 10.1002/chem.202005282)
Thin-Layer Chromatography 0.35 (hexane/EtOAc, 98:2, UV, KMnO4, PAA)
Wiley ID 1901959