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(R)-1-Azabicyclo[2.2.2]oct-3-yl (R)-.alpha.-Hydroxy-.alpha.-(4-iodophenyl) benzeneacetate
SpectraBase Compound ID B8Qzzix1Yqy
InChI InChI=1S/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19-,21+/m0/s1
InChIKey MHBGDNWDRYOZPX-PZJWPPBQSA-N
Mol Weight 463.32 g/mol
Molecular Formula C21H22INO3
Exact Mass 463.064439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GY9znqodxuj
Name (R)-1-Azabicyclo[2.2.2]oct-3-yl (R)-.alpha.-Hydroxy-.alpha.-(4-iodophenyl) benzeneacetate
Alternate Name(s) (3R)-1-azabicyclo[2.2.2]oct-3-yl (2R)-hydroxy(4-iodophenyl)phenylethanoate (2R)-2-hydroxy-2-(4-iodophenyl)-2-phenylacetic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-hydroxy-2-(4-iodophenyl)-2-phenylacetate [(3R)-quinuclidin-3-yl] (2R)-2-hydroxy-2-(4-iodophenyl)-2-phenyl-acetate [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-(4-iodophenyl)-2-oxidanyl-2-phenyl-ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C21H22INO3
InChI InChI=1S/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19-,21+/m0/s1
InChIKey MHBGDNWDRYOZPX-PZJWPPBQSA-N
Molecular Weight 463.315 g/mol
SMILES O[C@@](C(O[C@]1(CN2CCC1CC2)[H])=O)(c1ccc(cc1)I)c1ccccc1
SPLASH splash10-0a4i-0009400000-bcf522dd43bfb120af1d
Source of Spectrum QC-4-2197-22
Wiley ID 883444