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3-(p-fluorophenyl)-3-hydroxy-N-(4'-p-methylphenyl-4'-oxobutyl)quinuclidinium chloride
SpectraBase Compound ID EXFUnptBaqz
InChI InChI=1S/C24H29FNO2.ClH/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 SDYMUVIIVQWEML-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 B1crGDktlWv
Name 3-(p-fluorophenyl)-3-hydroxy-N-(4'-p-methylphenyl-4'-oxobutyl)quinuclidinium chloride
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Formula C24H29ClFNO2
InChI InChI=1S/C24H29FNO2.ClH/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 SDYMUVIIVQWEML-UHFFFAOYSA-M
Molecular Weight 417.952 g/mol
SMILES [Cl-].OC1(C[N+]2(CCC1CC2)CCCC(c1ccc(C)cc1)=O)c1ccc(F)cc1
SPLASH splash10-01bd-9742000000-0a73ffd8b707fa30f197
Source of Spectrum Y-27-1459-9
Synonyms 3-(4'-Fluorophenyl)-3-hydroxy-N-[4'-(4''-methylphenyl)-4'-oxobutyl]quinuclidnium chloride 3-p-Fluorophenyl-3-hydroxy-N-(4'-p-methylphenyl-4'-oxobutyl)quinuclidinium Chloride 3-(4-fluorophenyl)-3-hydroxy-1-[4-(4-methylphenyl)-4-oxobutyl]-1-azoniabicyclo[2.2.2]octane chloride 3-(4'-Fluorophenyl)-3-hydroxy-N-[4'-(4''-methylphenyl)-4'-oxobutyl]quinuclidnium chloride
Wiley ID 1376864