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CONE-23-ETHENYL-25,26,27,28-TETRA-N-PROPOXY-5,11,17-TRIS-(2-PYRIDYLETHYNYL)-CALIX-[4]-ARENE
SpectraBase Compound ID ICj64xnN7ij
InChI InChI=1S/C63H59N3O4/c1-6-29-67-60-49-33-45(10-5)34-50(60)42-52-36-47(21-24-58-18-12-15-27-65-58)38-54(62(52)69-31-8-3)44-56-40-48(22-25-59-19-13-16-28-66-59)39-55(63(56)70-32-9-4)43-53-37-46(20-23-57-17-11-14-26-64-57)35-51(41-49)61(53)68-30-7-2/h10-19,26-28,33-40H,5-9,29-32,41-44H2,1-4H3
InChIKey JPHJDNVTQKSNGA-UHFFFAOYSA-N
Mol Weight 922.2 g/mol
Molecular Formula C63H59N3O4
Exact Mass 921.450557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ChlZmI3gs6
Name CONE-23-ETHENYL-25,26,27,28-TETRA-N-PROPOXY-5,11,17-TRIS-(2-PYRIDYLETHYNYL)-CALIX-[4]-ARENE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H59N3O4
InChI InChI=1S/C63H59N3O4/c1-6-29-67-60-49-33-45(10-5)34-50(60)42-52-36-47(21-24-58-18-12-15-27-65-58)38-54(62(52)69-31-8-3)44-56-40-48(22-25-59-19-13-16-28-66-59)39-55(63(56)70-32-9-4)43-53-37-46(20-23-57-17-11-14-26-64-57)35-51(41-49)61(53)68-30-7-2/h10-19,26-28,33-40H,5-9,29-32,41-44H2,1-4H3
InChIKey JPHJDNVTQKSNGA-UHFFFAOYSA-N
Literature Reference Author G.DYKER,M.MASTALERZ,I.M.MUELLER
Literature Reference Citation EUR.J.ORG.CHEM.,3801(2005)
Molecular Weight 922.179 g/mol
Sample ID 30437
Solvent CDCl3