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3-PARA-METHOXYPHENYL-3-HYDROXY-N-(4'-PARA-CHLOROPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE

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3-PARA-METHOXYPHENYL-3-HYDROXY-N-(4'-PARA-CHLOROPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE
SpectraBase Compound ID 3SEzSsH6RAM
InChI InChI=1S/C24H29ClNO3.ClH/c1-29-22-10-6-19(7-11-22)24(28)17-26(15-12-20(24)13-16-26)14-2-3-23(27)18-4-8-21(25)9-5-18;/h4-11,20,28H,2-3,12-17H2,1H3;1H/q+1;/p-1/t20-,24-,26+;/m0./s1
InChIKey XBFNYBLTOCPNAA-JWFUNCKDSA-M
Mol Weight 450.41 g/mol
Molecular Formula C24H29Cl2NO3
Exact Mass 449.152449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cs4dIdbI7Yq
Name 3-PARA-METHOXYPHENYL-3-HYDROXY-N-(4'-PARA-CHLOROPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29Cl2NO3
InChI InChI=1S/C24H29ClNO3.ClH/c1-29-22-10-6-19(7-11-22)24(28)17-26(15-12-20(24)13-16-26)14-2-3-23(27)18-4-8-21(25)9-5-18;/h4-11,20,28H,2-3,12-17H2,1H3;1H/q+1;/p-1/t20-,24-,26+;/m0./s1
InChIKey XBFNYBLTOCPNAA-JWFUNCKDSA-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 450.405 g/mol
Solvent CD3OD
Source File Reference UWMZ829