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3-p-chlorophenyl-3-hydroxy-N-(4'-p-methoxyphenyl-4'-oxobutyl)quinuclidinium iodide

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3-p-chlorophenyl-3-hydroxy-N-(4'-p-methoxyphenyl-4'-oxobutyl)quinuclidinium iodide
SpectraBase Compound ID Bz80VXOp7Fl
InChI InChI=1S/C24H29ClNO3.HI/c1-29-22-10-4-18(5-11-22)23(27)3-2-14-26-15-12-20(13-16-26)24(28,17-26)19-6-8-21(25)9-7-19;/h4-11,20,28H,2-3,12-17H2,1H3;1H/q+1;/p-1
InChIKey IFJUVBPQICMIFK-UHFFFAOYSA-M
Mol Weight 541.86 g/mol
Molecular Formula C24H29ClINO3
Exact Mass 541.088066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UTO0cmpSfr
Name 3-p-chlorophenyl-3-hydroxy-N-(4'-p-methoxyphenyl-4'-oxobutyl)quinuclidinium iodide
Alternate Name(s) 3-(4'-Chlorophenyl)-3-hydroxy-N-[4'-(4''-methoxyphenyl)-4'-oxobutyl]quinuclidnium iodide 3-(4-Chlorophenyl)-3-hydroxy-1-[4-(4-methoxyphenyl)-4-oxobutyl]-1-azoniabicyclo[2.2.2]octane iodide
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Formula C24H29ClINO3
InChI InChI=1S/C24H29ClNO3.HI/c1-29-22-10-4-18(5-11-22)23(27)3-2-14-26-15-12-20(13-16-26)24(28,17-26)19-6-8-21(25)9-7-19;/h4-11,20,28H,2-3,12-17H2,1H3;1H/q+1;/p-1
InChIKey IFJUVBPQICMIFK-UHFFFAOYSA-M
Molecular Weight 541.857 g/mol
SMILES [I-].OC1(C[N+]2(CCC1CC2)CCCC(c1ccc(OC)cc1)=O)c1ccc(Cl)cc1
SPLASH splash10-00bi-3930000000-9e64e1a488462344bc03
Source of Spectrum Y-27-1465-21
Wiley ID 1404726