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5,11,17,23-TETRAKIS-TERT.-BUTYL-25,27-DIMETHOXY-26-TRIFLUOROACETYLAMINOCARBONYLOXY-28-HYDROXYCALIX-[4]-ARENE
SpectraBase Compound ID ITfEAnuKlSq
InChI InChI=1S/C49H60F3NO6/c1-45(2,3)35-19-27-15-29-21-36(46(4,5)6)23-31(40(29)57-13)17-33-25-38(48(10,11)12)26-34(42(33)59-44(56)53-43(55)49(50,51)52)18-32-24-37(47(7,8)9)22-30(41(32)58-14)16-28(20-35)39(27)54/h19-26,54H,15-18H2,1-14H3,(H,53,55,56)
InChIKey SGCOQXJNHCOLCO-UHFFFAOYSA-N
Mol Weight 816.0 g/mol
Molecular Formula C49H60F3NO6
Exact Mass 815.437273 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6V8kBChKWmH
Name 5,11,17,23-TETRAKIS-TERT.-BUTYL-25,27-DIMETHOXY-26-TRIFLUOROACETYLAMINOCARBONYLOXY-28-HYDROXYCALIX-[4]-ARENE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H60F3NO6
InChI InChI=1S/C49H60F3NO6/c1-45(2,3)35-19-27-15-29-21-36(46(4,5)6)23-31(40(29)57-13)17-33-25-38(48(10,11)12)26-34(42(33)59-44(56)53-43(55)49(50,51)52)18-32-24-37(47(7,8)9)22-30(41(32)58-14)16-28(20-35)39(27)54/h19-26,54H,15-18H2,1-14H3,(H,53,55,56)
InChIKey SGCOQXJNHCOLCO-UHFFFAOYSA-N
Literature Reference Author A.V.YAKOVENKO,V.I.BOYKO,O.V.KUSHNIR,I.F.TSYMBAL,J.LIPKOWSKI, A.SHIVANYUK,V.I.KALC
Literature Reference Citation ORG.LETTERS,6,2769(2004)
Literature Reference DOI 10.1021/ol049030n
Solvent CDCl3
Source File Reference UWSI34989