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(E)-4-Bromo-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-imidazole
SpectraBase Compound ID 1ecbpSTHGdf
InChI InChI=1S/C6H4BrF3N2/c7-5-3-12(4-11-5)2-1-6(8,9)10/h1-4H/b2-1+
InChIKey JBGYGBVCUHUZTD-OWOJBTEDSA-N
Mol Weight 241.01 g/mol
Molecular Formula C6H4BrF3N2
Exact Mass 239.950996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qvb3U90YMh
Name (E)-4-Bromo-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-imidazole
Appearance Pale yellow solid
Carrier Gas Helium
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Exact Mass 239.950995626 u
Formula C6H4BrF3N2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C6H4BrF3N2/c7-5-3-12(4-11-5)2-1-6(8,9)10/h1-4H/b2-1+
InChIKey JBGYGBVCUHUZTD-OWOJBTEDSA-N
Instrument Name Agilent 6890N-Agilent 5973
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202102840
Molecular Weight 241.011 g/mol
Quality 351
Reported Formula C6H4N2BrF3
SMILES C=1(Br)N=CN(C1)\C=C\C(F)(F)F
SPLASH splash10-0006-3390000000-2268227e86288c15f478
Source of Spectrum QE-27-SM33-24 (DOI: 10.1002/chem.202102840)
Thin-Layer Chromatography 0.34 (hexanes/EtOAc, 4:1)
Wiley ID 1904228