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3-(4'-Methoxyphenyl)-3-hydroxy-N-[4'-(4"-methylphenyl)-4'-oxobutyl]quinuclidnium chloride
SpectraBase Compound ID AYujuqPWtIV
InChI InChI=1S/C25H32NO3.ClH/c1-19-5-7-20(8-6-19)24(27)4-3-15-26-16-13-22(14-17-26)25(28,18-26)21-9-11-23(29-2)12-10-21;/h5-12,22,28H,3-4,13-18H2,1-2H3;1H/q+1;/p-1/t22-,25-,26+;/m1./s1
InChIKey RPHRUXFJYHQGGL-DEBOQACASA-M
Mol Weight 430.0 g/mol
Molecular Formula C25H32ClNO3
Exact Mass 429.207072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31Xw4UMdiC
Name 3-(4'-Methoxyphenyl)-3-hydroxy-N-[4'-(4"-methylphenyl)-4'-oxobutyl]quinuclidnium chloride
Alternate Name(s) 3-p-methoxyphenyl-3-hydroxy-N-(4'-p-methylphenyl-4'-oxobutyl)quinuclidinium chloride 3-Hydroxy-3-(4-methoxyphenyl)-1-[4-(4-methylphenyl)-4-oxobutyl]-1-azoniabicyclo[2.2.2]octane chloride
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Formula C25H32ClNO3
InChI InChI=1S/C25H32NO3.ClH/c1-19-5-7-20(8-6-19)24(27)4-3-15-26-16-13-22(14-17-26)25(28,18-26)21-9-11-23(29-2)12-10-21;/h5-12,22,28H,3-4,13-18H2,1-2H3;1H/q+1;/p-1/t22-,25-,26+;/m1./s1
InChIKey RPHRUXFJYHQGGL-DEBOQACASA-M
Molecular Weight 429.988 g/mol
SMILES [Cl-].O[C@]1(C[N@@+]2(CC[C@]1(CC2)[H])CCCC(c1ccc(C)cc1)=O)c1ccc(OC)cc1
SPLASH splash10-03k9-9852200000-584892f296b0138cdf47
Source of Spectrum Y-27-1460-19
Wiley ID 1381208