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25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-5-CALIX-[4]-ARENE,1,2-ALTERNATE-CONFORMER
SpectraBase Compound ID A0fcUWOxZ7N
InChI InChI=1S/C48H48N2O7/c1-3-19-49-43(17-1)33-56-47-39-13-7-15-41(47)32-42-16-8-14-40(48(42)57-34-44-18-2-4-20-50-44)31-38-12-6-10-36-29-35-9-5-11-37(30-39)45(35)54-27-25-52-23-21-51-22-24-53-26-28-55-46(36)38/h1-20H,21-34H2
InChIKey NSFWGMMFNILMMG-UHFFFAOYSA-N
Mol Weight 764.9 g/mol
Molecular Formula C48H48N2O7
Exact Mass 764.346152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIx3op8ZDSO
Name 25,26-BIS-[(2-PYRIDYLMETHYL)-OXY]-27,28-CROWN-5-CALIX-[4]-ARENE,1,2-CONE-CONFORMER
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H48N2O7
InChI InChI=1S/C48H48N2O7/c1-3-19-49-43(17-1)33-56-47-39-13-7-15-41(47)32-42-16-8-14-40(48(42)57-34-44-18-2-4-20-50-44)31-38-12-6-10-36-29-35-9-5-11-37(30-39)45(35)54-27-25-52-23-21-51-22-24-53-26-28-55-46(36)38/h1-20H,21-34H2
InChIKey NSFWGMMFNILMMG-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 764.918 g/mol
Solvent CDCl3
Source File Reference UWSI26746