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3-PARA-METHYLPHENYL-3-HYDROXY-N-(4'-PARA-METHYLPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE

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3-PARA-METHYLPHENYL-3-HYDROXY-N-(4'-PARA-METHYLPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE
SpectraBase Compound ID KKDaAnsVfnF
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/t23-,25-,26+;/m0./s1
InChIKey ZRMVQGRYNVEDMF-XKVNIVOBSA-M
Mol Weight 414.0 g/mol
Molecular Formula C25H32ClNO2
Exact Mass 413.212157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dm6aQfiq63
Name 3-PARA-METHYLPHENYL-3-HYDROXY-N-(4'-PARA-METHYLPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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/t23-,25-,26+;/m0./s1
InChIKey ZRMVQGRYNVEDMF-XKVNIVOBSA-M
Literature Reference Author A.COSME,M.S.ARIAS,E.GALVEZ,C.RUANO,C.RUANO
Literature Reference Citation J.HETCYCL.CHEM.,27,1457(1990)
Literature Reference DOI 10.1002/jhet.5570270551
Molecular Weight 413.988 g/mol
Solvent CD3OD
Source File Reference UWMZ827