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5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,26,27,28-TETRAKIS-[(2-THIENYL)-METHOXY]-CALIX-[4]-ARENE
SpectraBase Compound ID B46cRoMv4ip
InChI InChI=1S/C64H72O4S4/c1-61(2,3)49-29-41-25-43-31-50(62(4,5)6)33-45(58(43)66-38-54-18-14-22-70-54)27-47-35-52(64(10,11)12)36-48(60(47)68-40-56-20-16-24-72-56)28-46-34-51(63(7,8)9)32-44(59(46)67-39-55-19-15-23-71-55)26-42(30-49)57(41)65-37-53-17-13-21-69-53/h13-24,29-36H,25-28,37-40H2,1-12H3
InChIKey SMVGESSFJGCTMV-UHFFFAOYSA-N
Mol Weight 1033.5 g/mol
Molecular Formula C64H72O4S4
Exact Mass 1032.431345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6raFPfYEhLx
Name 5,11,17,23-TETRAKIS-(1,1-DIMETHYLETHYL)-25,26,27,28-TETRAKIS-[(2-THIENYL)-METHOXY]-CALIX-[4]-ARENE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H72O4S4
InChI InChI=1S/C64H72O4S4/c1-61(2,3)49-29-41-25-43-31-50(62(4,5)6)33-45(58(43)66-38-54-18-14-22-70-54)27-47-35-52(64(10,11)12)36-48(60(47)68-40-56-20-16-24-72-56)28-46-34-51(63(7,8)9)32-44(59(46)67-39-55-19-15-23-71-55)26-42(30-49)57(41)65-37-53-17-13-21-69-53/h13-24,29-36H,25-28,37-40H2,1-12H3
InChIKey SMVGESSFJGCTMV-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 1033.513 g/mol
Solvent CDCl3
Source File Reference UWSI7339