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3-PARA-CHLOROPHENYL-3-HYDROXY-N-(4'-PARA-METHOXYPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_IODIDE
SpectraBase Compound ID EoeIGqn7Joo
InChI InChI=1S/C24H29ClNO3.HI/c1-29-22-10-4-18(5-11-22)23(27)3-2-14-26-15-12-20(13-16-26)24(28,17-26)19-6-8-21(25)9-7-19;/h4-11,20,28H,2-3,12-17H2,1H3;1H/q+1;/p-1/t20-,24-,26+;/m0./s1
InChIKey IFJUVBPQICMIFK-JWFUNCKDSA-M
Mol Weight 541.86 g/mol
Molecular Formula C24H29ClINO3
Exact Mass 541.088066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26OvBejMzF0
Name 3-PARA-CHLOROPHENYL-3-HYDROXY-N-(4'-PARA-METHOXYPHENYL-4'-OXOBUTYL)-QUINUClIDINIUM_IODIDE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H29ClINO3
InChI InChI=1S/C24H29ClNO3.HI/c1-29-22-10-4-18(5-11-22)23(27)3-2-14-26-15-12-20(13-16-26)24(28,17-26)19-6-8-21(25)9-7-19;/h4-11,20,28H,2-3,12-17H2,1H3;1H/q+1;/p-1/t20-,24-,26+;/m0./s1
InChIKey IFJUVBPQICMIFK-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 541.857 g/mol
Solvent CD3OD
Source File Reference UWMZ818