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3-(4'-Methoxyphenyl)-3-hydroxy-N-[4'-(4"-methoxyphenyl)-4'-oxobutyl]quinuclidnium chloride
SpectraBase Compound ID 2tiC6Dgacuv
InChI InChI=1S/C25H32NO4.ClH/c1-29-22-9-5-19(6-10-22)24(27)4-3-15-26-16-13-21(14-17-26)25(28,18-26)20-7-11-23(30-2)12-8-20;/h5-12,21,28H,3-4,13-18H2,1-2H3;1H/q+1;/p-1/t21-,25-,26+;/m1./s1
InChIKey LJUJATMMEWGLKY-PYAOHEIISA-M
Mol Weight 446.0 g/mol
Molecular Formula C25H32ClNO4
Exact Mass 445.201986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEHld1w7xln
Name 3-(4'-Methoxyphenyl)-3-hydroxy-N-[4'-(4"-methoxyphenyl)-4'-oxobutyl]quinuclidnium chloride
Alternate Name(s) 3-p-methoxyphenyl-3-hydroxy-N-(4'-p-methoxyphenyl-4'-oxobutyl)quinuclidinium chloride 3-Hydroxy-3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)-4-oxobutyl]-1-azoniabicyclo[2.2.2]octane chloride
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Formula C25H32ClNO4
InChI InChI=1S/C25H32NO4.ClH/c1-29-22-9-5-19(6-10-22)24(27)4-3-15-26-16-13-21(14-17-26)25(28,18-26)20-7-11-23(30-2)12-8-20;/h5-12,21,28H,3-4,13-18H2,1-2H3;1H/q+1;/p-1/t21-,25-,26+;/m1./s1
InChIKey LJUJATMMEWGLKY-PYAOHEIISA-M
Molecular Weight 445.987 g/mol
SMILES [Cl-].O[C@]1(C[N@@+]2(CC[C@]1(CC2)[H])CCCC(c1ccc(OC)cc1)=O)c1ccc(OC)cc1
SPLASH splash10-0079-3940000000-80a718a8ed0c58951fcb
Source of Spectrum Y-27-1460-20
Wiley ID 1386375