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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-6-CALIX-[4]-ARENE,1,2-ALTERNATE-CONFORMER

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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-6-CALIX-[4]-ARENE,1,2-ALTERNATE-CONFORMER
SpectraBase Compound ID L7DaeY9oG2y
InChI InChI=1S/C66H84N2O8/c1-63(2,3)53-35-45-31-46-36-54(64(4,5)6)38-48-33-50-40-56(66(10,11)12)42-52(62(50)76-44-58-18-14-16-20-68-58)34-51-41-55(65(7,8)9)39-49(61(51)75-43-57-17-13-15-19-67-57)32-47(37-53)59(45)73-29-27-71-25-23-69-21-22-70-24-26-72-28-30-74-60(46)48/h13-20,35-42H,21-34,43-44H2,1-12H3
InChIKey ODLWIGHZUNQBQF-UHFFFAOYSA-N
Mol Weight 1033.4 g/mol
Molecular Formula C66H84N2O8
Exact Mass 1032.622768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2idSi4IQuzy
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-6-CALIX-[4]-ARENE,1,2-CONE-CONFORMER
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H84N2O8
InChI InChI=1S/C66H84N2O8/c1-63(2,3)53-35-45-31-46-36-54(64(4,5)6)38-48-33-50-40-56(66(10,11)12)42-52(62(50)76-44-58-18-14-16-20-68-58)34-51-41-55(65(7,8)9)39-49(61(51)75-43-57-17-13-15-19-67-57)32-47(37-53)59(45)73-29-27-71-25-23-69-21-22-70-24-26-72-28-30-74-60(46)48/h13-20,35-42H,21-34,43-44H2,1-12H3
InChIKey ODLWIGHZUNQBQF-UHFFFAOYSA-N
Literature Reference Author G.FERGUSON,A.J.LOUGH,A.NOTTI,S.PAPPALARDO,M.F.PARISI,A.PETRI NGA
Literature Reference Citation J.ORG.CHEM.,63,9703(1998)
Literature Reference DOI 10.1021/jo9810516
Molecular Weight 1033.402 g/mol
Solvent CDCl3
Source File Reference UWSI26748