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6-Methoxy-4-[[6-(1,1-difluoroethyl)-1-azabicyclo[3.2.1]octan-2-yl]hydroxymethyl]quinidine isomer
SpectraBase Compound ID 4hGrO6l5hK3
InChI InChI=1S/C20H24F2N2O2/c1-20(21,22)15-5-3-11-9-17(15)24-18(11)19(25)13-7-8-23-16-6-4-12(26-2)10-14(13)16/h4,6-8,10-11,15,17-19,24-25H,3,5,9H2,1-2H3/t11-,15?,17-,18?,19+/m0/s1
InChIKey FCXKJWBZKSJYKK-XXGLKDPRSA-N
Mol Weight 362.42 g/mol
Molecular Formula C20H24F2N2O2
Exact Mass 362.180584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4r192glM48
Name 6-Methoxy-4-[[6-(1,1-difluoroethyl)-1-azabicyclo[3.2.1]octan-2-yl]hydroxymethyl]quinidine isomer
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Formula C20H24F2N2O2
InChI InChI=1S/C20H24F2N2O2/c1-20(21,22)15-5-3-11-9-17(15)24-18(11)19(25)13-7-8-23-16-6-4-12(26-2)10-14(13)16/h4,6-8,10-11,15,17-19,24-25H,3,5,9H2,1-2H3/t11-,15?,17-,18?,19+/m0/s1
InChIKey FCXKJWBZKSJYKK-XXGLKDPRSA-N
Molecular Weight 362.421 g/mol
SMILES N1C([C@@](c2c3c(ccc(c3)OC)ncc2)(O)[H])[C@]2(CCC([C@@]1(C2)[H])C(F)(F)C)[H]
SPLASH splash10-03k9-0924000000-628245943853c51a3c66
Source of Spectrum F-20-670-11
Wiley ID 1631904