8-CASCADE:ADIPIC-ACID-[2-1,8]:(1-AZABUTYLIDENE):(6-OXO-5-OXA-1-AZAOCTYLIDENE):TERT.-BUTYL-PROPYLESTER

SpectraBase Compound ID	1JlbPGX3tuL
InChI	InChI=1S/C92H164N6O28/c1-85(2,3)119-77(105)39-57-95(58-40-78(106)120-86(4,5)6)49-29-67-115-73(101)35-53-93(54-36-74(102)116-68-30-50-96(59-41-79(107)121-87(7,8)9)60-42-80(108)122-88(10,11)12)47-27-65-113-71(99)33-25-26-34-72(100)114-66-28-48-94(55-37-75(103)117-69-31-51-97(61-43-81(109)123-89(13,14)15)62-44-82(110)124-90(16,17)18)56-38-76(104)118-70-32-52-98(63-45-83(111)125-91(19,20)21)64-46-84(112)126-92(22,23)24/h25-70H2,1-24H3
InChIKey	IGOHRXIAHZZESH-UHFFFAOYSA-N Google Search
Mol Weight	1802.3 g/mol
Molecular Formula	C92H164N6O28
Exact Mass	1801.159359 g/mol

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SpectraBase Spectrum ID	IXtfypQRona
Name	8-CASCADE:ADIPIC-ACID-[2-1,8]:(1-AZABUTYLIDENE):(6-OXO-5-OXA-1-AZAOCTYLIDENE):TERT.-BUTYL-PROPYLESTER
Compound Number	7
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C92H164N6O28
InChI	InChI=1S/C92H164N6O28/c1-85(2,3)119-77(105)39-57-95(58-40-78(106)120-86(4,5)6)49-29-67-115-73(101)35-53-93(54-36-74(102)116-68-30-50-96(59-41-79(107)121-87(7,8)9)60-42-80(108)122-88(10,11)12)47-27-65-113-71(99)33-25-26-34-72(100)114-66-28-48-94(55-37-75(103)117-69-31-51-97(61-43-81(109)123-89(13,14)15)62-44-82(110)124-90(16,17)18)56-38-76(104)118-70-32-52-98(63-45-83(111)125-91(19,20)21)64-46-84(112)126-92(22,23)24/h25-70H2,1-24H3
InChIKey	IGOHRXIAHZZESH-UHFFFAOYSA-N
Literature Reference Author	D.SOTO-CASTRO,J.A.CRUZ-MORALES,M.T.R.APAN,P.GUADARRAMA
Literature Reference Citation	MOLECULES,15,8082(2010)
Literature Reference DOI	10.3390/molecules15118082
Molecular Weight	1802.338 g/mol
Sample ID	72649
Solvent	CD3OD