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CONE-25,26,27,28-TETRA-N-PROPOXY-5,11,17,23-TETRAKIS-(3-PYRIDYLETHYNYL)-CALIX-[4]-ARENE
SpectraBase Compound ID 6NKTuvWbpu3
InChI InChI=1S/C68H60N4O4/c1-5-29-73-65-57-33-53(21-17-49-13-9-25-69-45-49)34-58(65)42-60-36-55(23-19-51-15-11-27-71-47-51)38-62(67(60)75-31-7-3)44-64-40-56(24-20-52-16-12-28-72-48-52)39-63(68(64)76-32-8-4)43-61-37-54(22-18-50-14-10-26-70-46-50)35-59(41-57)66(61)74-30-6-2/h9-16,25-28,33-40,45-48H,5-8,29-32,41-44H2,1-4H3
InChIKey GVESOERROIOPNH-UHFFFAOYSA-N
Mol Weight 997.3 g/mol
Molecular Formula C68H60N4O4
Exact Mass 996.461456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuozXCivj9H
Name CONE-25,26,27,28-TETRA-N-PROPOXY-5,11,17,23-TETRAKIS-(3-PYRIDYLETHYNYL)-CALIX-[4]-ARENE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H60N4O4
InChI InChI=1S/C68H60N4O4/c1-5-29-73-65-57-33-53(21-17-49-13-9-25-69-45-49)34-58(65)42-60-36-55(23-19-51-15-11-27-71-47-51)38-62(67(60)75-31-7-3)44-64-40-56(24-20-52-16-12-28-72-48-52)39-63(68(64)76-32-8-4)43-61-37-54(22-18-50-14-10-26-70-46-50)35-59(41-57)66(61)74-30-6-2/h9-16,25-28,33-40,45-48H,5-8,29-32,41-44H2,1-4H3
InChIKey GVESOERROIOPNH-UHFFFAOYSA-N
Literature Reference Author G.DYKER,M.MASTALERZ,I.M.MUELLER
Literature Reference Citation EUR.J.ORG.CHEM.,3801(2005)
Molecular Weight 997.249 g/mol
Sample ID 30439
Solvent CDCl3