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25,26,27,28-TETRAKIS-[3-[(PYRIDINE-2-CARBOXY)-AMINO]-PROPOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID lU6fijk1ko
InChI InChI=1S/C64H64N8O8/c73-61(53-25-1-5-29-65-53)69-33-13-37-77-57-45-17-9-18-46(57)42-48-20-11-22-50(59(48)79-39-15-35-71-63(75)55-27-3-7-31-67-55)44-52-24-12-23-51(60(52)80-40-16-36-72-64(76)56-28-4-8-32-68-56)43-49-21-10-19-47(41-45)58(49)78-38-14-34-70-62(74)54-26-2-6-30-66-54/h1-12,17-32H,13-16,33-44H2,(H,69,73)(H,70,74)(H,71,75)(H,72,76)
InChIKey WIQBQOYJGMTFDW-UHFFFAOYSA-N
Mol Weight 1073.3 g/mol
Molecular Formula C64H64N8O8
Exact Mass 1072.484711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3o3lCe92K2R
Name 25,26,27,28-TETRAKIS-[3-[(PYRIDINE-2-CARBOXY)-AMINO]-PROPOXY]-CALIX-[4]-ARENE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H64N8O8
InChI InChI=1S/C64H64N8O8/c73-61(53-25-1-5-29-65-53)69-33-13-37-77-57-45-17-9-18-46(57)42-48-20-11-22-50(59(48)79-39-15-35-71-63(75)55-27-3-7-31-67-55)44-52-24-12-23-51(60(52)80-40-16-36-72-64(76)56-28-4-8-32-68-56)43-49-21-10-19-47(41-45)58(49)78-38-14-34-70-62(74)54-26-2-6-30-66-54/h1-12,17-32H,13-16,33-44H2,(H,69,73)(H,70,74)(H,71,75)(H,72,76)
InChIKey WIQBQOYJGMTFDW-UHFFFAOYSA-N
Literature Reference Author A.CASNATI,N.D.CA,M.FONTANELLA,F.SANSONE,F.UGOZZOLI,R.UNGARO, K.LIGER,J.F.DOZOL
Literature Reference Citation EUR.J.ORG.CHEM.,2338(2005)
Molecular Weight 1073.261 g/mol
Sample ID 39354
Solvent CDCl3