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37,39-BIS-[(DIETHOXYPHOSPHORYL)-OXY]-5,11,17,23,29,35-HEXAKIS-(1,1-DIMETHYLETHYL)-CALIX-[6]-ARENE-38,40,41,42-TETROL
SpectraBase Compound ID EadeMj1KbfQ
InChI InChI=1S/C74H102O12P2/c1-23-81-87(79,82-24-2)85-67-53-29-49-37-58(70(8,9)10)35-47(64(49)76)27-45-33-57(69(5,6)7)34-46(63(45)75)28-48-36-59(71(11,12)13)38-50(65(48)77)30-54-42-62(74(20,21)22)44-56(68(54)86-88(80,83-25-3)84-26-4)32-52-40-60(72(14,15)16)39-51(66(52)78)31-55(67)43-61(41-53)73(17,18)19/h33-44,75-78H,23-32H2,1-22H3
InChIKey XASWSTJKARWVLW-UHFFFAOYSA-N
Mol Weight 1245.6 g/mol
Molecular Formula C74H102O12P2
Exact Mass 1244.684653 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjxTNCsygIw
Name 37,39-BIS-[(DIETHOXYPHOSPHORYL)-OXY]-5,11,17,23,29,35-HEXAKIS-(1,1-DIMETHYLETHYL)-CALIX-[6]-ARENE-38,40,41,42-TETROL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H102O12P2
InChI InChI=1S/C74H102O12P2/c1-23-81-87(79,82-24-2)85-67-53-29-49-37-58(70(8,9)10)35-47(64(49)76)27-45-33-57(69(5,6)7)34-46(63(45)75)28-48-36-59(71(11,12)13)38-50(65(48)77)30-54-42-62(74(20,21)22)44-56(68(54)86-88(80,83-25-3)84-26-4)32-52-40-60(72(14,15)16)39-51(66(52)78)31-55(67)43-61(41-53)73(17,18)19/h33-44,75-78H,23-32H2,1-22H3
InChIKey XASWSTJKARWVLW-UHFFFAOYSA-N
Literature Reference Author R.G.JANSSEN,J.P.M.V.DUYNHOVEN,W.VERBOOM,G.J.V.HUMMEL,S.HARKE MA,D.N.REINHOUDT
Literature Reference Citation J.AM.CHEM.SOC.,118,3666(1996)
Literature Reference DOI 10.1021/ja9540942
Solvent CDCl3
Source File Reference UWSI37742