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(E)-1-(3,3,3-Trifluoroprop-1-en-1-yl)-1H-benzo[d]imidazole
SpectraBase Compound ID 1CYAqJbbim7
InChI InChI=1S/C10H7F3N2/c11-10(12,13)5-6-15-7-14-8-3-1-2-4-9(8)15/h1-7H/b6-5+
InChIKey ZKRRCURDVOGYFK-AATRIKPKSA-N
Mol Weight 212.18 g/mol
Molecular Formula C10H7F3N2
Exact Mass 212.056133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3X0qZS9KanA
Name (E)-1-(3,3,3-Trifluoroprop-1-en-1-yl)-1H-benzo[d]imidazole
Appearance Off-white solid
Carrier Gas Helium
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Exact Mass 212.056132722 u
Formula C10H7F3N2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C10H7F3N2/c11-10(12,13)5-6-15-7-14-8-3-1-2-4-9(8)15/h1-7H/b6-5+
InChIKey ZKRRCURDVOGYFK-AATRIKPKSA-N
Instrument Name Agilent 6890N-Agilent 5973
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202102840
Molecular Weight 212.175 g/mol
Quality 346
Reported Formula C10H7N2F3
SMILES C(\C=C\N1C=NC2=C1C=CC=C2)(F)(F)F
SPLASH splash10-03di-6690000000-a6f9832a617ef9ca27e0
Source of Spectrum QE-27-SM40-35 (DOI: 10.1002/chem.202102840)
Thin-Layer Chromatography 0.48 (hexanes/EtOAc, 3:1)
Wiley ID 1904244