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(R,R)-Quinuclidin-3-yl 2-Cyclohexyl-2-hydroxyphenylacetate methiodide
SpectraBase Compound ID 98B2V4NJMnQ
InChI InChI=1S/C22H32NO3.HI/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3;1H/q+1;/p-1/t17?,20-,22-,23?;/m0./s1
InChIKey PJUALTWRJIYAHC-LPOVJKNVSA-M
Mol Weight 485.4 g/mol
Molecular Formula C22H32INO3
Exact Mass 485.142689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SoPUcpH8EV
Name (R,R)-Quinuclidin-3-yl 2-Cyclohexyl-2-hydroxyphenylacetate methiodide
Alternate Name(s) (2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid[(3R)-1-methylquinuclidin-1-ium-3-yl]ester iodide (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl]ester iodide (3R)-3-{[(2R)-2-cyclohexyl-2-hydroxy-2-phenylethanoyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane iodide [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl](2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate iodide [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl](2R)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate iodide [(3R)-1-methylquinuclidin-1-ium-3-yl](2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate iodide (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester;iodide [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate;iodide [(3R)-1-methylquinuclidin-1-ium-3-yl] (2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate;iodide [(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate;iodide
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Formula C22H32INO3
InChI InChI=1S/C22H32NO3.HI/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3;1H/q+1;/p-1/t17?,20-,22-,23?;/m0./s1
InChIKey PJUALTWRJIYAHC-LPOVJKNVSA-M
Molecular Weight 485.406 g/mol
SMILES [I-].O[C@@](C(O[C@]1(C[N+]2(C)CCC1CC2)[H])=O)(c1ccccc1)C1CCCCC1
SPLASH splash10-056u-5900000000-46d5249d881fb8492908
Source of Spectrum E1-40-123-2
Wiley ID 1599171