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quinine, acetate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

quinine, acetate
SpectraBase Compound ID LKJac12R5ro
InChI InChI=1S/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16-,21-,22+/m0/s1
InChIKey LBXIBQQYUBUMMK-WWLNLUSPSA-N
Mol Weight 366.46 g/mol
Molecular Formula C22H26N2O3
Exact Mass 366.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tPthLv9cJe
Name Acetylquinine
Alternate Name(s) Acetic acid [(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methyl] ester [(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] acetate [(R)-(6-methoxy-4-quinolyl)-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]methyl] acetate [(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] ethanoate
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Formula C22H26N2O3
InChI InChI=1S/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16-,21-,22+/m0/s1
InChIKey LBXIBQQYUBUMMK-WWLNLUSPSA-N
Molecular Weight 366.461 g/mol
SMILES [C@]1(N2CC[C@](C1)([H])[C@](C2)(C=C)[H])([C@@](c1c2c(ccc(c2)OC)ncc1)(OC(=O)C)[H])[H]
SPLASH splash10-000i-0900000000-77dbe11357f549d266a1
Source of Spectrum O-35-713-21
Wiley ID 818201