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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[(2-THIENYL)-METHOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID 41wGl1SoOvf
InChI InChI=1S/C60H76O4S4/c1-57(2,3)47-29-39-25-43-33-49(59(7,8)9)35-45(55(43)63-37-51-17-15-21-67-51)27-41-31-48(58(4,5)6)32-42(54(41)62-20-24-66-14)28-46-36-50(60(10,11)12)34-44(56(46)64-38-52-18-16-22-68-52)26-40(30-47)53(39)61-19-23-65-13/h15-18,21-22,29-36H,19-20,23-28,37-38H2,1-14H3
InChIKey GIFSMCAMZSJKCC-UHFFFAOYSA-N
Mol Weight 989.5 g/mol
Molecular Formula C60H76O4S4
Exact Mass 988.462646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cwlQBW9JtY
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,27-BIS-[(2-METHYLSULFANYL)-ETHOXY]-26,28-BIS-[(2-THIENYL)-METHOXY]-CALIX-[4]-ARENE
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H76O4S4
InChI InChI=1S/C60H76O4S4/c1-57(2,3)47-29-39-25-43-33-49(59(7,8)9)35-45(55(43)63-37-51-17-15-21-67-51)27-41-31-48(58(4,5)6)32-42(54(41)62-20-24-66-14)28-46-36-50(60(10,11)12)34-44(56(46)64-38-52-18-16-22-68-52)26-40(30-47)53(39)61-19-23-65-13/h15-18,21-22,29-36H,19-20,23-28,37-38H2,1-14H3
InChIKey GIFSMCAMZSJKCC-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 989.501 g/mol
Solvent CDCl3
Source File Reference UWSI7347