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#11A;(TERT.-BUTOXYCARBONYLMETHYL-[4-[2,7-DIFLUORO-9-HYDROXY-3,6-BIS-(2-METHOXYETHOXYMETHOXY)-9H-XANTHEN-9-YL]-2-HYDROXY-PHENYL]-AMINO)-ACETIC-ACID-TERT.-BUTYLE

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#11A;(TERT.-BUTOXYCARBONYLMETHYL-[4-[2,7-DIFLUORO-9-HYDROXY-3,6-BIS-(2-METHOXYETHOXYMETHOXY)-9H-XANTHEN-9-YL]-2-HYDROXY-PHENYL]-AMINO)-ACETIC-ACID-TERT.-BUTYLE
SpectraBase Compound ID 7AnNfSs0AcU
InChI InChI=1S/C39H49F2NO13/c1-37(2,3)54-35(44)20-42(21-36(45)55-38(4,5)6)29-10-9-24(15-30(29)43)39(46)25-16-27(40)33(51-22-49-13-11-47-7)18-31(25)53-32-19-34(28(41)17-26(32)39)52-23-50-14-12-48-8/h9-10,15-19,43,46H,11-14,20-23H2,1-8H3
InChIKey VJCXJFHQHVXJPK-UHFFFAOYSA-N
Mol Weight 777.8 g/mol
Molecular Formula C39H49F2NO13
Exact Mass 777.317197 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWfy2pHISW4
Name #11A;(TERT.-BUTOXYCARBONYLMETHYL-[4-[2,7-DIFLUORO-9-HYDROXY-3,6-BIS-(2-METHOXYETHOXYMETHOXY)-9H-XANTHEN-9-YL]-2-HYDROXY-PHENYL]-AMINO)-ACETIC-ACID-TERT.-BUTYLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H49F2NO13
InChI InChI=1S/C39H49F2NO13/c1-37(2,3)54-35(44)20-42(21-36(45)55-38(4,5)6)29-10-9-24(15-30(29)43)39(46)25-16-27(40)33(51-22-49-13-11-47-7)18-31(25)53-32-19-34(28(41)17-26(32)39)52-23-50-14-12-48-8/h9-10,15-19,43,46H,11-14,20-23H2,1-8H3
InChIKey VJCXJFHQHVXJPK-UHFFFAOYSA-N
Literature Reference Author C.A.CHEN,R.H.YEH,D.S.LAWRENCE
Literature Reference Citation J.AM.CHEM.SOC.,124,3840(2002)
Literature Reference DOI 10.1021/ja017530v
Solvent CDCl3
Source File Reference UWLU49149