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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(DIISOPROPYLAMINO)-ETHOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID KqRRVocOSiU
InChI InChI=1S/C66H102N2O4S2/c1-43(2)67(44(3)4)23-25-69-59-47-31-51-39-57(65(15,16)17)41-53(61(51)71-27-29-73-21)33-49-37-56(64(12,13)14)38-50(60(49)70-26-24-68(45(5)6)46(7)8)34-54-42-58(66(18,19)20)40-52(62(54)72-28-30-74-22)32-48(59)36-55(35-47)63(9,10)11/h35-46H,23-34H2,1-22H3
InChIKey KGKGNLGQWDFKND-UHFFFAOYSA-N
Mol Weight 1051.7 g/mol
Molecular Formula C66H102N2O4S2
Exact Mass 1050.728102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DOMJfcX98V
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(DIISOPROPYLAMINO)-ETHOXY]-CALIX-[4]-ARENE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H102N2O4S2
InChI InChI=1S/C66H102N2O4S2/c1-43(2)67(44(3)4)23-25-69-59-47-31-51-39-57(65(15,16)17)41-53(61(51)71-27-29-73-21)33-49-37-56(64(12,13)14)38-50(60(49)70-26-24-68(45(5)6)46(7)8)34-54-42-58(66(18,19)20)40-52(62(54)72-28-30-74-22)32-48(59)36-55(35-47)63(9,10)11/h35-46H,23-34H2,1-22H3
InChIKey KGKGNLGQWDFKND-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 1051.667 g/mol
Solvent CDCl3
Source File Reference UWSI7343