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3-p-methylphenyl-3-hydroxy-N-(4'-p-fluorophenyl-4'-oxobutyl)quinuclidinium chloride
SpectraBase Compound ID DO8c3xA5wbY
InChI InChI=1S/C24H29FNO2.ClH/c1-18-4-8-20(9-5-18)24(28)17-26(15-12-21(24)13-16-26)14-2-3-23(27)19-6-10-22(25)11-7-19;/h4-11,21,28H,2-3,12-17H2,1H3;1H/q+1;/p-1
InChIKey AGEBDRUJQZHJIX-UHFFFAOYSA-M
Mol Weight 417.95 g/mol
Molecular Formula C24H29ClFNO2
Exact Mass 417.187085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 573oF6jkBHJ
Name 3-p-methylphenyl-3-hydroxy-N-(4'-p-fluorophenyl-4'-oxobutyl)quinuclidinium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29ClFNO2
InChI InChI=1S/C24H29FNO2.ClH/c1-18-4-8-20(9-5-18)24(28)17-26(15-12-21(24)13-16-26)14-2-3-23(27)19-6-10-22(25)11-7-19;/h4-11,21,28H,2-3,12-17H2,1H3;1H/q+1;/p-1
InChIKey AGEBDRUJQZHJIX-UHFFFAOYSA-M
Molecular Weight 417.952 g/mol
SMILES [Cl-].OC1(C[N+]2(CCC1CC2)CCCC(c1ccc(F)cc1)=O)c1ccc(C)cc1
SPLASH splash10-00di-6921000000-8694f89807c46c5f8849
Source of Spectrum Y-27-1460-12
Synonyms 1-[4-(4-fluorophenyl)-4-oxobutyl]-3-hydroxy-3-(4-methylphenyl)-1-azoniabicyclo[2.2.2]octane chloride 3-(4'-Methylphenyl)-3-hydroxy-N-[4'-(4''-fluorophenyl)-4'-oxobutyl]quinuclidinium chloride
Wiley ID 1376863