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3-PARA-METHOXYPHENYL-3-HYDROXY-N-(4'-PARA-METHOXYPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE
SpectraBase Compound ID LkcbT79oWEi
InChI InChI=1S/C25H32NO4.ClH/c1-29-22-9-5-19(6-10-22)24(27)4-3-15-26-16-13-21(14-17-26)25(28,18-26)20-7-11-23(30-2)12-8-20;/h5-12,21,28H,3-4,13-18H2,1-2H3;1H/q+1;/p-1/t21-,25-,26+;/m0./s1
InChIKey LJUJATMMEWGLKY-YHNORDHTSA-M
Mol Weight 446.0 g/mol
Molecular Formula C25H32ClNO4
Exact Mass 445.201986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3oLM43AKJY
Name 3-PARA-METHOXYPHENYL-3-HYDROXY-N-(4'-PARA-METHOXYPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_CHLORIDE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32ClNO4
InChI InChI=1S/C25H32NO4.ClH/c1-29-22-9-5-19(6-10-22)24(27)4-3-15-26-16-13-21(14-17-26)25(28,18-26)20-7-11-23(30-2)12-8-20;/h5-12,21,28H,3-4,13-18H2,1-2H3;1H/q+1;/p-1/t21-,25-,26+;/m0./s1
InChIKey LJUJATMMEWGLKY-YHNORDHTSA-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 445.986 g/mol
Solvent CD3OD
Source File Reference UWMZ833