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3-BENZO-[1.3]-DIOXOL-5-YL-4-{3-(2-(2-(2-(2-FLUOROETHOXY)-ETHOXY)-ETHOXY)-ETHOXY-4,5-DIMETHOXYBENZYL}-5-HYDROXY-5-(4-METHOXYPHENYL)-5-H-FURAN-2-ONE
SpectraBase Compound ID 1q4V9tuAA8e
InChI InChI=1S/C35H39FO12/c1-39-26-7-5-25(6-8-26)35(38)27(32(34(37)48-35)24-4-9-28-29(21-24)47-22-46-28)18-23-19-30(40-2)33(41-3)31(20-23)45-17-16-44-15-14-43-13-12-42-11-10-36/h4-9,19-21,38H,10-18,22H2,1-3H3
InChIKey NKOJYTIBYBSFJN-UHFFFAOYSA-N
Mol Weight 670.7 g/mol
Molecular Formula C35H39FO12
Exact Mass 670.242555 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gpzm0mfC4wo
Name 3-BENZO-[1.3]-DIOXOL-5-YL-4-{3-(2-(2-(2-(2-FLUOROETHOXY)-ETHOXY)-ETHOXY)-ETHOXY-4,5-DIMETHOXYBENZYL}-5-HYDROXY-5-(4-METHOXYPHENYL)-5-H-FURAN-2-ONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H39FO12
InChI InChI=1S/C35H39FO12/c1-39-26-7-5-25(6-8-26)35(38)27(32(34(37)48-35)24-4-9-28-29(21-24)47-22-46-28)18-23-19-30(40-2)33(41-3)31(20-23)45-17-16-44-15-14-43-13-12-42-11-10-36/h4-9,19-21,38H,10-18,22H2,1-3H3
InChIKey NKOJYTIBYBSFJN-UHFFFAOYSA-N
Literature Reference Author K.MICHEL,K.BUETHER,M.P.LAW,S.WAGNER,O.SCHOBER,S.HERMANN,M.SC HAEFERS,B.RIEMANN,C.
Literature Reference Citation J.MED.CHEM.,54,939(2011)
Literature Reference DOI 10.1021/jm101110w
Solvent CDCl3
Source File Reference UWMZ34501