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3-(4'-Methylphenyl)-3-hydroxy-N-[4'-(4"-methoxyphenyl)-4'-oxobutyl]quinuclidnium chloride
SpectraBase Compound ID JCqVlTCalgG
InChI InChI=1S/C25H32NO3.ClH/c1-19-5-9-21(10-6-19)25(28)18-26(16-13-22(25)14-17-26)15-3-4-24(27)20-7-11-23(29-2)12-8-20;/h5-12,22,28H,3-4,13-18H2,1-2H3;1H/q+1;/p-1
InChIKey WAPJFNFKICJMHN-UHFFFAOYSA-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 73WW4owT4u5
Name 3-(4'-Methylphenyl)-3-hydroxy-N-[4'-(4"-methoxyphenyl)-4'-oxobutyl]quinuclidnium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32ClNO3
InChI InChI=1S/C25H32NO3.ClH/c1-19-5-9-21(10-6-19)25(28)18-26(16-13-22(25)14-17-26)15-3-4-24(27)20-7-11-23(29-2)12-8-20;/h5-12,22,28H,3-4,13-18H2,1-2H3;1H/q+1;/p-1
InChIKey WAPJFNFKICJMHN-UHFFFAOYSA-M
Molecular Weight 429.988 g/mol
SMILES [Cl-].OC1(C[N+]2(CCC1CC2)CCCC(c1ccc(OC)cc1)=O)c1ccc(C)cc1
SPLASH splash10-009i-5930000000-8a5e8b871a5f85c07587
Source of Spectrum Y-27-1465-15
Synonyms 3-p-methylphenyl-3-hydroxy-N-(4'-p-methoxyphenyl-4'-oxobutyl)quinuclidinium chloride 3-Hydroxy-1-[4-(4-methoxyphenyl)-4-oxobutyl]-3-(4-methylphenyl)-1-azoniabicyclo[2.2.2]octane chloride
Wiley ID 1381206