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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(DIMETHYLAMINO)-ETHOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID 4gksB06sKxU
InChI InChI=1S/C58H86N2O4S2/c1-55(2,3)47-31-39-27-43-35-49(57(7,8)9)37-45(53(43)63-23-25-65-17)29-41-33-48(56(4,5)6)34-42(52(41)62-22-20-60(15)16)30-46-38-50(58(10,11)12)36-44(54(46)64-24-26-66-18)28-40(32-47)51(39)61-21-19-59(13)14/h31-38H,19-30H2,1-18H3
InChIKey RDNYZQQGWHZJDR-UHFFFAOYSA-N
Mol Weight 939.5 g/mol
Molecular Formula C58H86N2O4S2
Exact Mass 938.602902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIPC09ekm02
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[2-(DIMETHYLAMINO)-ETHOXY]-CALIX-[4]-ARENE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H86N2O4S2
InChI InChI=1S/C58H86N2O4S2/c1-55(2,3)47-31-39-27-43-35-49(57(7,8)9)37-45(53(43)63-23-25-65-17)29-41-33-48(56(4,5)6)34-42(52(41)62-22-20-60(15)16)30-46-38-50(58(10,11)12)36-44(54(46)64-24-26-66-18)28-40(32-47)51(39)61-21-19-59(13)14/h31-38H,19-30H2,1-18H3
InChIKey RDNYZQQGWHZJDR-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 939.452 g/mol
Solvent CDCl3
Source File Reference UWSI7341