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25,27-BIS-(2-ETHOXYETHOXY)-26,28-BIS-(2-(2-(2-(2-(ADAMANTYL-1-OXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-PARA-TERT.-BUTYL-CALIX-[4]-ARENE
SpectraBase Compound ID B1BYootx2Tm
InChI InChI=1S/C88H132O14/c1-15-89-25-31-97-79-67-43-71-51-77(85(9,10)11)53-73(81(71)99-33-27-93-21-17-91-19-23-95-29-35-101-87-55-61-37-62(56-87)39-63(38-61)57-87)45-69-49-76(84(6,7)8)50-70(80(69)98-32-26-90-16-2)46-74-54-78(86(12,13)14)52-72(44-68(79)48-75(47-67)83(3,4)5)82(74)100-34-28-94-22-18-92-20-24-96-30-36-102-88-58-64-40-65(59-88)42-66(41-64)60-88/h47-54,61-66H,15-46,55-60H2,1-14H3/t61-,62+,63-,64-,65+,66-,87-,88-
InChIKey XWVNOYOSIFPVLT-VLVLAGAXSA-N
Mol Weight 1414.0 g/mol
Molecular Formula C88H132O14
Exact Mass 1412.961709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5EIFjV5sEA1
Name 25,27-BIS-(2-ETHOXYETHOXY)-26,28-BIS-(2-(2-(2-(2-(ADAMANTYL-1-OXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-PARA-TERT.-BUTYL-CALIX-[4]-ARENE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C88H132O14
InChI InChI=1S/C88H132O14/c1-15-89-25-31-97-79-67-43-71-51-77(85(9,10)11)53-73(81(71)99-33-27-93-21-17-91-19-23-95-29-35-101-87-55-61-37-62(56-87)39-63(38-61)57-87)45-69-49-76(84(6,7)8)50-70(80(69)98-32-26-90-16-2)46-74-54-78(86(12,13)14)52-72(44-68(79)48-75(47-67)83(3,4)5)82(74)100-34-28-94-22-18-92-20-24-96-30-36-102-88-58-64-40-65(59-88)42-66(41-64)60-88/h47-54,61-66H,15-46,55-60H2,1-14H3/t61-,62+,63-,64-,65+,66-,87-,88-
InChIKey XWVNOYOSIFPVLT-VLVLAGAXSA-N
Literature Reference Author A.MULDER,T.AULETTA,A.SARTORI,S.DELCIOTTO,A.CASNATI,R.UNGARO, J.HUSKENS,D.N.REINHO
Literature Reference Citation J.AM.CHEM.SOC.,126,6627(2004)
Literature Reference DOI 10.1021/ja0317168
Molecular Weight 1414.008 g/mol
Solvent CDCl3
Source File Reference UWMZ24508