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10,11-Didehydro-11-(hydroxymethyl)-6'-methoxycinchonan-9-ol
SpectraBase Compound ID JpB2EFJyv4I
InChI InChI=1S/C21H24N2O3/c1-26-16-4-5-19-18(12-16)17(6-8-22-19)21(25)20-11-14-7-9-23(20)13-15(14)3-2-10-24/h4-6,8,12,14-15,20-21,24-25H,7,9-11,13H2,1H3/t14-,15-,20+,21-/m0/s1
InChIKey OIJMMJCEARNPJB-YJPXFSGGSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnkANYe9bso
Name 10,11-Didehydro-11-(hydroxymethyl)-6'-methoxycinchonan-9-ol
Alternate Name(s) 3-[(1S,3S,4S,6R)-6-[hydroxy(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]prop-2-yn-1-ol
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Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-26-16-4-5-19-18(12-16)17(6-8-22-19)21(25)20-11-14-7-9-23(20)13-15(14)3-2-10-24/h4-6,8,12,14-15,20-21,24-25H,7,9-11,13H2,1H3/t14-,15-,20+,21-/m0/s1
InChIKey OIJMMJCEARNPJB-YJPXFSGGSA-N
Molecular Weight 352.434 g/mol
SMILES O[C@]([C@@]1(N2C[C@](C#CCO)([C@](C1)(CC2)[H])[H])[H])(c1c2c(ccc(c2)OC)ncc1)[H]
SPLASH splash10-03di-0911000000-0affbf1412a3ce44b0be
Source of Spectrum H-83-790-5
Wiley ID 847054