37,38,39,40,41,42-HEXAKIS-[3-[(PYRIDINE-2-CARBOXY)-AMINO]-PROPOXY]-CALIX-[6]-ARENE

SpectraBase Compound ID	123lxgk0ZFb
InChI	InChI=1S/C96H96N12O12/c109-91(79-37-1-7-43-97-79)103-49-19-55-115-85-67-25-13-26-68(85)62-70-28-15-30-72(87(70)117-57-21-51-105-93(111)81-39-3-9-45-99-81)64-74-32-17-34-76(89(74)119-59-23-53-107-95(113)83-41-5-11-47-101-83)66-78-36-18-35-77(90(78)120-60-24-54-108-96(114)84-42-6-12-48-102-84)65-75-33-16-31-73(88(75)118-58-22-52-106-94(112)82-40-4-10-46-100-82)63-71-29-14-27-69(61-67)86(71)116-56-20-50-104-92(110)80-38-2-8-44-98-80/h1-18,25-48H,19-24,49-66H2,(H,103,109)(H,104,110)(H,105,111)(H,106,112)(H,107,113)(H,108,114)
InChIKey	PJNJGGHQCDAHDH-UHFFFAOYSA-N Google Search
Mol Weight	1609.9 g/mol
Molecular Formula	C96H96N12O12
Exact Mass	1608.727067 g/mol

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SpectraBase Spectrum ID	3z2R5kMMRiZ
Name	37,38,39,40,41,42-HEXAKIS-[3-[(PYRIDINE-2-CARBOXY)-AMINO]-PROPOXY]-CALIX-[6]-ARENE
Compound Number	27
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C96H96N12O12
InChI	InChI=1S/C96H96N12O12/c109-91(79-37-1-7-43-97-79)103-49-19-55-115-85-67-25-13-26-68(85)62-70-28-15-30-72(87(70)117-57-21-51-105-93(111)81-39-3-9-45-99-81)64-74-32-17-34-76(89(74)119-59-23-53-107-95(113)83-41-5-11-47-101-83)66-78-36-18-35-77(90(78)120-60-24-54-108-96(114)84-42-6-12-48-102-84)65-75-33-16-31-73(88(75)118-58-22-52-106-94(112)82-40-4-10-46-100-82)63-71-29-14-27-69(61-67)86(71)116-56-20-50-104-92(110)80-38-2-8-44-98-80/h1-18,25-48H,19-24,49-66H2,(H,103,109)(H,104,110)(H,105,111)(H,106,112)(H,107,113)(H,108,114)
InChIKey	PJNJGGHQCDAHDH-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	1609.891 g/mol
Sample ID	39356
Solvent	CDCl3