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

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3-PARA-METHYLPHENYL-3-HYDROXY-N-(4'-PARA-BrOMOPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE
SpectraBase Compound ID FQAplpBtTzI
InChI InChI=1S/C24H29BrNO2.ClH/c1-18-4-8-20(9-5-18)24(28)17-26(15-12-21(24)13-16-26)14-2-3-23(27)19-6-10-22(25)11-7-19;/h4-11,21,28H,2-3,12-17H2,1H3;1H/q+1;/p-1/t21-,24-,26+;/m0./s1
InChIKey VNBQVGUEXZHLJR-ZRBZXBJQSA-M
Mol Weight 478.86 g/mol
Molecular Formula C24H29BrClNO2
Exact Mass 477.10702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kvg3KyAnn7d
Name 3-PARA-METHYLPHENYL-3-HYDROXY-N-(4'-PARA-BrOMOPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29BrClNO2
InChI InChI=1S/C24H29BrNO2.ClH/c1-18-4-8-20(9-5-18)24(28)17-26(15-12-21(24)13-16-26)14-2-3-23(27)19-6-10-22(25)11-7-19;/h4-11,21,28H,2-3,12-17H2,1H3;1H/q+1;/p-1/t21-,24-,26+;/m0./s1
InChIKey VNBQVGUEXZHLJR-ZRBZXBJQSA-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 478.857 g/mol
Solvent CD3OD
Source File Reference UWMZ826