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(E)-2-[3-(tert-Butyl)hept-1-en-1-yl]-1-methyl-5-(trifluoromethyl)-1H-benzo[d]imidazole
SpectraBase Compound ID 3p2JmAtC0Mi
InChI InChI=1S/C20H27F3N2/c1-6-7-8-14(19(2,3)4)10-12-18-24-16-13-15(20(21,22)23)9-11-17(16)25(18)5/h9-14H,6-8H2,1-5H3/b12-10+
InChIKey LAPBJLJJPOSPED-ZRDIBKRKSA-N
Mol Weight 352.45 g/mol
Molecular Formula C20H27F3N2
Exact Mass 352.212633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGy8YdDWkhu
Name (E)-2-[3-(tert-Butyl)hept-1-en-1-yl]-1-methyl-5-(trifluoromethyl)-1H-benzo[d]imidazole
Appearance Pale yellow solid
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Exact Mass 352.212633366 u
Formula C20H27F3N2
InChI InChI=1S/C20H27F3N2/c1-6-7-8-14(19(2,3)4)10-12-18-24-16-13-15(20(21,22)23)9-11-17(16)25(18)5/h9-14H,6-8H2,1-5H3/b12-10+
InChIKey LAPBJLJJPOSPED-ZRDIBKRKSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709087
Molecular Weight 352.445 g/mol
Quality 182
Reported Formula C20H27N2F3
SMILES C(C(\C=C\C=1N(C2=C(N1)C=C(C=C2)C(F)(F)F)C)CCCC)(C)(C)C
SPLASH splash10-0udi-0090000000-7ecc7fbab5de64f71a52
Source of Spectrum ACI-56-SM20-4ca (DOI: 10.1002/anie.201709087)
Wiley ID 1896623