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25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-6-CALIX-[4]-ARENE,1,2-ALTERNATE-CONFORMER
SpectraBase Compound ID K2oIjCWl97d
InChI InChI=1S/C50H52N2O8/c1-3-19-51-45(17-1)35-59-49-41-13-7-15-43(49)34-44-16-8-14-42(50(44)60-36-46-18-2-4-20-52-46)33-40-12-6-10-38-31-37-9-5-11-39(32-41)47(37)57-29-27-55-25-23-53-21-22-54-24-26-56-28-30-58-48(38)40/h1-20H,21-36H2
InChIKey HYTARXCDPOZCTI-UHFFFAOYSA-N
Mol Weight 809.0 g/mol
Molecular Formula C50H52N2O8
Exact Mass 808.372367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6flQSPEi5xf
Name 25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-6-CALIX-[4]-ARENE,1,2-ALTERNATE-CONFORMER
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H52N2O8
InChI InChI=1S/C50H52N2O8/c1-3-19-51-45(17-1)35-59-49-41-13-7-15-43(49)34-44-16-8-14-42(50(44)60-36-46-18-2-4-20-52-46)33-40-12-6-10-38-31-37-9-5-11-39(32-41)47(37)57-29-27-55-25-23-53-21-22-54-24-26-56-28-30-58-48(38)40/h1-20H,21-36H2
InChIKey HYTARXCDPOZCTI-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 808.971 g/mol
Solvent CDCl3
Source File Reference UWSI26749