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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(MORPHOLINO)-ETHOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID 1j5Ay1ZZnKx
InChI InChI=1S/C62H90N2O6S2/c1-59(2,3)51-35-43-31-47-39-53(61(7,8)9)41-49(57(47)69-27-29-71-13)33-45-37-52(60(4,5)6)38-46(56(45)68-26-20-64-17-23-66-24-18-64)34-50-42-54(62(10,11)12)40-48(58(50)70-28-30-72-14)32-44(36-51)55(43)67-25-19-63-15-21-65-22-16-63/h35-42H,15-34H2,1-14H3
InChIKey BNPMYTLKPPKCTB-UHFFFAOYSA-N
Mol Weight 1023.5 g/mol
Molecular Formula C62H90N2O6S2
Exact Mass 1022.624031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Aipi1lrvRL
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(MORPHOLINO)-ETHOXY]-CALIX-[4]-ARENE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H90N2O6S2
InChI InChI=1S/C62H90N2O6S2/c1-59(2,3)51-35-43-31-47-39-53(61(7,8)9)41-49(57(47)69-27-29-71-13)33-45-37-52(60(4,5)6)38-46(56(45)68-26-20-64-17-23-66-24-18-64)34-50-42-54(62(10,11)12)40-48(58(50)70-28-30-72-14)32-44(36-51)55(43)67-25-19-63-15-21-65-22-16-63/h35-42H,15-34H2,1-14H3
InChIKey BNPMYTLKPPKCTB-UHFFFAOYSA-N
Literature Reference Author A.F.D.DENAMOR,R.G.HUTCHERSON,F.J.S.VELARDE,A.ALVAREZ-LARENA, J.L.BRIANSO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2933(1998)
Literature Reference DOI 10.1039/a802410c
Molecular Weight 1023.526 g/mol
Solvent CDCl3
Source File Reference UWSI7344