5,11,17,23-TETRAKIS-[(PYRIDINE-2-CARBOXY)-AMINOMETHYL]-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE

SpectraBase Compound ID	14hEXcQDuAK
InChI	InChI=1S/C68H72N8O8/c1-5-25-81-61-49-29-45(41-73-65(77)57-17-9-13-21-69-57)30-50(61)38-52-32-47(43-75-67(79)59-19-11-15-23-71-59)34-54(63(52)83-27-7-3)40-56-36-48(44-76-68(80)60-20-12-16-24-72-60)35-55(64(56)84-28-8-4)39-53-33-46(31-51(37-49)62(53)82-26-6-2)42-74-66(78)58-18-10-14-22-70-58/h9-24,29-36H,5-8,25-28,37-44H2,1-4H3,(H,73,77)(H,74,78)(H,75,79)(H,76,80)
InChIKey	NMMFDHZAFZZBAN-UHFFFAOYSA-N Google Search
Mol Weight	1129.4 g/mol
Molecular Formula	C68H72N8O8
Exact Mass	1128.547311 g/mol

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SpectraBase Spectrum ID	BtvB75m4142
Name	5,11,17,23-TETRAKIS-[(PYRIDINE-2-CARBOXY)-AMINOMETHYL]-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE
Compound Number	3 2
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C68H72N8O8
InChI	InChI=1S/C68H72N8O8/c1-5-25-81-61-49-29-45(41-73-65(77)57-17-9-13-21-69-57)30-50(61)38-52-32-47(43-75-67(79)59-19-11-15-23-71-59)34-54(63(52)83-27-7-3)40-56-36-48(44-76-68(80)60-20-12-16-24-72-60)35-55(64(56)84-28-8-4)39-53-33-46(31-51(37-49)62(53)82-26-6-2)42-74-66(78)58-18-10-14-22-70-58/h9-24,29-36H,5-8,25-28,37-44H2,1-4H3,(H,73,77)(H,74,78)(H,75,79)(H,76,80)
InChIKey	NMMFDHZAFZZBAN-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	1129.368 g/mol
Sample ID	39359
Solvent	CDCl3