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3-p-methylphenyl-3-hydroxy-N-(4'-p-methylphenyl-4'-oxobutyl)quinuclidinium chloride
SpectraBase Compound ID AtHqs5SVLmn
InChI InChI=1S/C25H32NO2.ClH/c1-19-5-9-21(10-6-19)24(27)4-3-15-26-16-13-23(14-17-26)25(28,18-26)22-11-7-20(2)8-12-22;/h5-12,23,28H,3-4,13-18H2,1-2H3;1H/q+1;/p-1
InChIKey ZRMVQGRYNVEDMF-UHFFFAOYSA-M
Mol Weight 414.0 g/mol
Molecular Formula C25H32ClNO2
Exact Mass 413.212157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gSzSFokoHI
Name 3-p-methylphenyl-3-hydroxy-N-(4'-p-methylphenyl-4'-oxobutyl)quinuclidinium chloride
Alternate Name(s) 3-(4'-Methylphenyl)-3-hydroxy-N-[4'-(4''-methylphenyl)-4'-oxobutyl]quinuclidnium chloride 3-Hydroxy-3-(4-methylphenyl)-1-[4-(4-methylphenyl)-4-oxobutyl]-1-azoniabicyclo[2.2.2]octane chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32ClNO2
InChI InChI=1S/C25H32NO2.ClH/c1-19-5-9-21(10-6-19)24(27)4-3-15-26-16-13-23(14-17-26)25(28,18-26)22-11-7-20(2)8-12-22;/h5-12,23,28H,3-4,13-18H2,1-2H3;1H/q+1;/p-1
InChIKey ZRMVQGRYNVEDMF-UHFFFAOYSA-M
Molecular Weight 413.989 g/mol
SMILES [Cl-].OC1(C[N+]2(CCC1CC2)CCCC(c1ccc(C)cc1)=O)c1ccc(C)cc1
SPLASH splash10-02gx-9562000000-ed3592293f46bbb16dae
Source of Spectrum Y-27-1465-14
Wiley ID 1375063