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3-BENZO-[1.3]-DIOXOL-5-YL-4-{3-[1-(2-{2-(2-FLUOROETHOXY)-ETHOXY]-ETHOXY}-ETHYL)-1-H-1,2,3-TRIAZOL-4-YLMETHOXY]-4,5-DIMETHO

View entire compound with spectra: 1 NMR

3-BENZO-[1.3]-DIOXOL-5-YL-4-{3-[1-(2-{2-(2-FLUOROETHOXY)-ETHOXY]-ETHOXY}-ETHYL)-1-H-1,2,3-TRIAZOL-4-YLMETHOXY]-4,5-DIMETHO
SpectraBase Compound ID HD4zWjDLInZ
InChI InChI=1S/C38H42FN3O12/c1-45-29-7-5-27(6-8-29)38(44)30(35(37(43)54-38)26-4-9-31-32(21-26)53-24-52-31)18-25-19-33(46-2)36(47-3)34(20-25)51-23-28-22-42(41-40-28)11-13-49-15-17-50-16-14-48-12-10-39/h4-9,19-22,44H,10-18,23-24H2,1-3H3
InChIKey MNTUQBKGVBUMOH-UHFFFAOYSA-N
Mol Weight 751.8 g/mol
Molecular Formula C38H42FN3O12
Exact Mass 751.275252 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5xqZq4DATu
Name 3-BENZO-[1.3]-DIOXOL-5-YL-4-{3-[1-(2-{2-(2-FLUOROETHOXY)-ETHOXY]-ETHOXY}-ETHYL)-1-H-1,2,3-TRIAZOL-4-YLMETHOXY]-4,5-DIMETHO
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H42FN3O12
InChI InChI=1S/C38H42FN3O12/c1-45-29-7-5-27(6-8-29)38(44)30(35(37(43)54-38)26-4-9-31-32(21-26)53-24-52-31)18-25-19-33(46-2)36(47-3)34(20-25)51-23-28-22-42(41-40-28)11-13-49-15-17-50-16-14-48-12-10-39/h4-9,19-22,44H,10-18,23-24H2,1-3H3
InChIKey MNTUQBKGVBUMOH-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 UWMZ34502