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1-Methyl-3-(2-oxo-2-((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)-1H-benzo[d]imidazol-3-ium tetrafluoroborate
SpectraBase Compound ID 5GUnMm50Bo1
InChI InChI=1S/C20H27N2O2.BF4/c1-19(2)14-9-10-20(19,3)17(11-14)24-18(23)12-22-13-21(4)15-7-5-6-8-16(15)22;2-1(3,4)5/h5-8,13-14,17H,9-12H2,1-4H3;/q+1;-1/t14-,17+,20+;/m1./s1
InChIKey TUQKEAZAPRBITA-CMZIBZKZSA-N
Mol Weight 414.3 g/mol
Molecular Formula C20H27BF4N2O2
Exact Mass 414.210171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQrTH4zh4iT
Name 1-Methyl-3-(2-oxo-2-((1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)ethyl)-1H-benzo[d]imidazol-3-ium tetrafluoroborate
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Formula C20H27BF4N2O2
InChI InChI=1S/C20H27N2O2.BF4/c1-19(2)14-9-10-20(19,3)17(11-14)24-18(23)12-22-13-21(4)15-7-5-6-8-16(15)22;2-1(3,4)5/h5-8,13-14,17H,9-12H2,1-4H3;/q+1;-1/t14-,17+,20+;/m1./s1
InChIKey TUQKEAZAPRBITA-CMZIBZKZSA-N
Literature Reference DOI 10.1016/j.tetasy.2016.04.004
Molecular Weight 414.252 g/mol
SMILES c12c(cccc2)[n](c[n+]1CC(O[C@]1(C[C@]2(CC[C@@]1(C2(C)C)C)[H])[H])=O)C.[B-](F)(F)(F)F
SPLASH splash10-0007-5900000000-abb655d4b7ac8f66bade
Source of Spectrum Avtar Singh, et al. Tetrahedron: Asymmetry, 10.1016/j.tetasy.2016.04.004
Wiley ID 1816048