(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 Google Search
Mol Weight	463.32 g/mol
Molecular Formula	C21H22INO3
Exact Mass	463.064439 g/mol

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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
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Synonyms	(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
Wiley ID	883444