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(E)-5,6-Dimethyl-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-benzo[d]imidazole
SpectraBase Compound ID CO6QUcHXeWR
InChI InChI=1S/C12H11F3N2/c1-8-5-10-11(6-9(8)2)17(7-16-10)4-3-12(13,14)15/h3-7H,1-2H3/b4-3+
InChIKey ULJNSUYHCFKDLY-ONEGZZNKSA-N
Mol Weight 240.23 g/mol
Molecular Formula C12H11F3N2
Exact Mass 240.087433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9f86DUUL8j2
Name (E)-5,6-Dimethyl-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-benzo[d]imidazole
Appearance Pale yellow solid
Carrier Gas Helium
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Exact Mass 240.087432851 u
Formula C12H11F3N2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C12H11F3N2/c1-8-5-10-11(6-9(8)2)17(7-16-10)4-3-12(13,14)15/h3-7H,1-2H3/b4-3+
InChIKey ULJNSUYHCFKDLY-ONEGZZNKSA-N
Instrument Name Agilent 6890N-Agilent 5973
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202102840
Molecular Weight 240.229 g/mol
Quality 365
Reported Formula C12H11N2F3
SMILES CC1=CC2=C(N=CN2\C=C\C(F)(F)F)C=C1C
SPLASH splash10-002f-0090000000-40221ad69e673b2c306c
Source of Spectrum QE-27-SM41-36 (DOI: 10.1002/chem.202102840)
Thin-Layer Chromatography 0.48 (hexanes/EtOAc, 1:1)
Wiley ID 1904245