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25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-4-CALIX-[4]-ARENE,1,2-ALTERNATE-CONFORMER
SpectraBase Compound ID GAHUkzs5IAX
InChI InChI=1S/C46H44N2O6/c1-3-19-47-41(17-1)31-53-45-37-13-7-15-39(45)30-40-16-8-14-38(46(40)54-32-42-18-2-4-20-48-42)29-36-12-6-10-34-27-33-9-5-11-35(28-37)43(33)51-25-23-49-21-22-50-24-26-52-44(34)36/h1-20H,21-32H2
InChIKey FPDFMNYTKZUHIR-UHFFFAOYSA-N
Mol Weight 720.9 g/mol
Molecular Formula C46H44N2O6
Exact Mass 720.319937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DEoBgAJdVuC
Name 25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-4-CALIX-[4]-ARENE,1,2-CONE-CONFORMER
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H44N2O6
InChI InChI=1S/C46H44N2O6/c1-3-19-47-41(17-1)31-53-45-37-13-7-15-39(45)30-40-16-8-14-38(46(40)54-32-42-18-2-4-20-48-42)29-36-12-6-10-34-27-33-9-5-11-35(28-37)43(33)51-25-23-49-21-22-50-24-26-52-44(34)36/h1-20H,21-32H2
InChIKey FPDFMNYTKZUHIR-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 720.865 g/mol
Solvent CDCl3
Source File Reference UWSI26744