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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 hexafluorophosphate(V)
SpectraBase Compound ID GbroT27GSpa
InChI InChI=1S/C20H27N2O2.F6P/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;1-7(2,3,4,5)6/h5-8,13-14,17H,9-12H2,1-4H3;/q+1;-1/t14-,17+,20+;/m1./s1
InChIKey BXXQAKQKXAYLBN-CMZIBZKZSA-N
Mol Weight 472.41218098 g/mol
Molecular Formula C20H27F6N2O2P
Exact Mass 472.171434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzXcSmOXPHR
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 hexafluorophosphate(V)
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Formula C20H27F6N2O2P
InChI InChI=1S/C20H27N2O2.F6P/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;1-7(2,3,4,5)6/h5-8,13-14,17H,9-12H2,1-4H3;/q+1;-1/t14-,17+,20+;/m1./s1
InChIKey BXXQAKQKXAYLBN-CMZIBZKZSA-N
Literature Reference DOI 10.1016/j.tetasy.2016.04.004
Molecular Weight 472.412 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.[P-](F)(F)(F)(F)(F)F
SPLASH splash10-00e9-7900000000-4b1b75f02264239b928e
Source of Spectrum Avtar Singh, et al. Tetrahedron: Asymmetry, 10.1016/j.tetasy.2016.04.004
Wiley ID 1816049