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(E)-3,5-Bis(4-bromophenyl)-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole
SpectraBase Compound ID 9YFYD9SAzBu
InChI InChI=1S/C18H11Br2F3N2/c19-14-5-1-12(2-6-14)16-11-17(13-3-7-15(20)8-4-13)25(24-16)10-9-18(21,22)23/h1-11H/b10-9+
InChIKey UJGSPRFOZMFDTK-MDZDMXLPSA-N
Mol Weight 472.1 g/mol
Molecular Formula C18H11Br2F3N2
Exact Mass 469.924109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qS3FZfwadu
Name (E)-3,5-Bis(4-bromophenyl)-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole
Appearance White solid
Carrier Gas Helium
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Exact Mass 469.924108851 u
Formula C18H11Br2F3N2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C18H11Br2F3N2/c19-14-5-1-12(2-6-14)16-11-17(13-3-7-15(20)8-4-13)25(24-16)10-9-18(21,22)23/h1-11H/b10-9+
InChIKey UJGSPRFOZMFDTK-MDZDMXLPSA-N
Instrument Name Agilent 6890N-Agilent 5973
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202102840
Molecular Weight 472.103 g/mol
Quality 354
Reported Formula C18H11N2Br2F3
SMILES C1(=CC=C(C=C1)Br)C1=CC(=NN1\C=C\C(F)(F)F)C1=CC=C(C=C1)Br
SPLASH splash10-0629-5912400000-c327f277ea143dae60be
Source of Spectrum QE-27-SM22-10 (DOI: 10.1002/chem.202102840)
Thin-Layer Chromatography 0.58 (hexanes/EtOAc, 10:1)
Wiley ID 1904214