25,26,27,28-TETRAKIS-[4-[(PYRIDINE-2-CARBOXY)-AMINO]-BUTOXY]-PARA-TERT.-BUTYLCALIX-[4]-ARENE

SpectraBase Compound ID	2JxfwhykvN3
InChI	InChI=1S/C84H104N8O8/c1-81(2,3)65-49-57-45-59-51-66(82(4,5)6)53-61(74(59)98-42-26-22-38-90-78(94)70-30-14-18-34-86-70)47-63-55-68(84(10,11)12)56-64(76(63)100-44-28-24-40-92-80(96)72-32-16-20-36-88-72)48-62-54-67(83(7,8)9)52-60(75(62)99-43-27-23-39-91-79(95)71-31-15-19-35-87-71)46-58(50-65)73(57)97-41-25-21-37-89-77(93)69-29-13-17-33-85-69/h13-20,29-36,49-56H,21-28,37-48H2,1-12H3,(H,89,93)(H,90,94)(H,91,95)(H,92,96)
InChIKey	PAXNSICAURLKJE-UHFFFAOYSA-N Google Search
Mol Weight	1353.8 g/mol
Molecular Formula	C84H104N8O8
Exact Mass	1352.797712 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	DBtKd71gyxR
Name	25,26,27,28-TETRAKIS-[4-[(PYRIDINE-2-CARBOXY)-AMINO]-BUTOXY]-PARA-TERT.-BUTYLCALIX-[4]-ARENE
Compound Number	22
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C84H104N8O8
InChI	InChI=1S/C84H104N8O8/c1-81(2,3)65-49-57-45-59-51-66(82(4,5)6)53-61(74(59)98-42-26-22-38-90-78(94)70-30-14-18-34-86-70)47-63-55-68(84(10,11)12)56-64(76(63)100-44-28-24-40-92-80(96)72-32-16-20-36-88-72)48-62-54-67(83(7,8)9)52-60(75(62)99-43-27-23-39-91-79(95)71-31-15-19-35-87-71)46-58(50-65)73(57)97-41-25-21-37-89-77(93)69-29-13-17-33-85-69/h13-20,29-36,49-56H,21-28,37-48H2,1-12H3,(H,89,93)(H,90,94)(H,91,95)(H,92,96)
InChIKey	PAXNSICAURLKJE-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	1353.799 g/mol
Sample ID	39353
Solvent	CDCl3