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3-p-chlorophenyl-3-hydroxy-N-(4'-p-methylphenyl-4'-oxobutyl)quinuclidinium iodide
SpectraBase Compound ID 68ch4S5CPie
InChI InChI=1S/C24H29ClNO2.HI/c1-18-4-6-19(7-5-18)23(27)3-2-14-26-15-12-21(13-16-26)24(28,17-26)20-8-10-22(25)11-9-20;/h4-11,21,28H,2-3,12-17H2,1H3;1H/q+1;/p-1
InChIKey KTHRFGJPPAAECR-UHFFFAOYSA-M
Mol Weight 525.86 g/mol
Molecular Formula C24H29ClINO2
Exact Mass 525.093152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTH8P0XaNZ7
Name 3-p-chlorophenyl-3-hydroxy-N-(4'-p-methylphenyl-4'-oxobutyl)quinuclidinium iodide
Alternate Name(s) 3-(4'-Chlorophenyl)-3-hydroxy-N-[4'-(4''-methylphenyl)-4'-oxobutyl]quinuclidnium iodide 3-(4-Chlorophenyl)-3-hydroxy-1-[4-(4-methylphenyl)-4-oxobutyl]-1-azoniabicyclo[2.2.2]octane iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29ClINO2
InChI InChI=1S/C24H29ClNO2.HI/c1-18-4-6-19(7-5-18)23(27)3-2-14-26-15-12-21(13-16-26)24(28,17-26)20-8-10-22(25)11-9-20;/h4-11,21,28H,2-3,12-17H2,1H3;1H/q+1;/p-1
InChIKey KTHRFGJPPAAECR-UHFFFAOYSA-M
Molecular Weight 525.858 g/mol
SMILES [I-].OC1(C[N+]2(CCC1CC2)CCCC(c1ccc(C)cc1)=O)c1ccc(Cl)cc1
SPLASH splash10-014i-1911010000-c890597ef26a5301b82a
Source of Spectrum Y-27-1465-22
Wiley ID 1402660