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(S)-[(2R,4S,5R)-5-[(1R)-1-bromanylethyl]-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
SpectraBase Compound ID GJZlhsGIiOx
InChI InChI=1S/C20H25BrN2O2/c1-12(21)17-11-23-8-6-13(17)9-19(23)20(24)15-5-7-22-18-4-3-14(25-2)10-16(15)18/h3-5,7,10,12-13,17,19-20,24H,6,8-9,11H2,1-2H3/t12-,13+,17-,19-,20+/m1/s1
InChIKey AMNCJJOQDFYMLB-LQLFEPIYSA-N
Mol Weight 405.34 g/mol
Molecular Formula C20H25BrN2O2
Exact Mass 404.109941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdwD7dhBaix
Name (S)-[(2R,4S,5R)-5-[(1R)-1-bromanylethyl]-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25BrN2O2
InChI InChI=1S/C20H25BrN2O2/c1-12(21)17-11-23-8-6-13(17)9-19(23)20(24)15-5-7-22-18-4-3-14(25-2)10-16(15)18/h3-5,7,10,12-13,17,19-20,24H,6,8-9,11H2,1-2H3/t12-,13+,17-,19-,20+/m1/s1
InChIKey AMNCJJOQDFYMLB-LQLFEPIYSA-N
Molecular Weight 405.336 g/mol
SMILES O[C@@](c1c2c(ccc(c2)OC)ncc1)([C@@]1(N2C[C@]([C@](Br)(C)[H])([C@@](CC2)(C1)[H])[H])[H])[H]
SPLASH splash10-000i-1901000000-ffa6301cfc9a2949cb61
Source of Spectrum F-54-3504-2
Synonyms (S)-[(2R,4S,5R)-5-[(1R)-1-bromoethyl]-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol (S)-[(2R,4S,5R)-5-[(1R)-1-bromoethyl]-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol (S)-[(2R,4S,5R)-5-[(1R)-1-bromoethyl]quinuclidin-2-yl]-(6-methoxy-4-quinolyl)methanol
Wiley ID 806446