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3-PARA-CHLOROPHENYL-3-HYDROXY-N-(4'-PARA-METHYLPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE
SpectraBase Compound ID 2lAnk7d2xLu
InChI InChI=1S/C24H29ClNO2.ClH/c1-18-4-6-19(7-5-18)23(27)3-2-14-26-15-12-21(13-16-26)24(28,17-26)20-8-10-22(25)11-9-20;/h4-11,21,28H,2-3,12-17H2,1H3;1H/q+1;/p-1/t21-,24-,26+;/m0./s1
InChIKey YCWNSLDWIDMACN-ZRBZXBJQSA-M
Mol Weight 434.41 g/mol
Molecular Formula C24H29Cl2NO2
Exact Mass 433.157535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDRhrgKS1GQ
Name 3-PARA-CHLOROPHENYL-3-HYDROXY-N-(4'-PARA-METHYLPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29Cl2NO2
InChI InChI=1S/C24H29ClNO2.ClH/c1-18-4-6-19(7-5-18)23(27)3-2-14-26-15-12-21(13-16-26)24(28,17-26)20-8-10-22(25)11-9-20;/h4-11,21,28H,2-3,12-17H2,1H3;1H/q+1;/p-1/t21-,24-,26+;/m0./s1
InChIKey YCWNSLDWIDMACN-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 434.406 g/mol
Solvent CD3OD
Source File Reference UWMZ815