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25,27-DIMETHOXY-26-TRIFLUOROACETYLAMINOCARBONYLOXY-28-HYDROXYCALIX-[4]-ARENE
SpectraBase Compound ID COPicG3ItM1
InChI InChI=1S/C33H28F3NO6/c1-41-28-21-9-4-11-23(28)17-25-13-6-14-26(30(25)43-32(40)37-31(39)33(34,35)36)18-24-12-5-10-22(29(24)42-2)16-20-8-3-7-19(15-21)27(20)38/h3-14,38H,15-18H2,1-2H3,(H,37,39,40)
InChIKey QKQRLWUKPQDDPC-UHFFFAOYSA-N
Mol Weight 591.6 g/mol
Molecular Formula C33H28F3NO6
Exact Mass 591.186872 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ajC8zx46ja
Name 25,27-DIMETHOXY-26-TRIFLUOROACETYLAMINOCARBONYLOXY-28-HYDROXYCALIX-[4]-ARENE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H28F3NO6
InChI InChI=1S/C33H28F3NO6/c1-41-28-21-9-4-11-23(28)17-25-13-6-14-26(30(25)43-32(40)37-31(39)33(34,35)36)18-24-12-5-10-22(29(24)42-2)16-20-8-3-7-19(15-21)27(20)38/h3-14,38H,15-18H2,1-2H3,(H,37,39,40)
InChIKey QKQRLWUKPQDDPC-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 UWSI34990