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2,2'-([5,17-BIS-(1,1-DIMETHYLETHYL)-25,27-DIHYDROXY-11,23-DINITROCALIX-[4]-ARENE-26,28-DIYL]-BIS-[OXY])-BIS-(ACETIC-ACID)-DIETHYLESTER

View entire compound with spectra: 1 NMR

2,2'-([5,17-BIS-(1,1-DIMETHYLETHYL)-25,27-DIHYDROXY-11,23-DINITROCALIX-[4]-ARENE-26,28-DIYL]-BIS-[OXY])-BIS-(ACETIC-ACID)-DIETHYLESTER
SpectraBase Compound ID IQu9gC2PHwT
InChI InChI=1S/C44H50N2O12/c1-9-55-37(47)23-57-41-29-11-25-19-35(45(51)52)21-27(39(25)49)13-31-17-34(44(6,7)8)18-32(42(31)58-24-38(48)56-10-2)14-28-22-36(46(53)54)20-26(40(28)50)12-30(41)16-33(15-29)43(3,4)5/h15-22,49-50H,9-14,23-24H2,1-8H3
InChIKey HAFNBIYTAPSPOG-UHFFFAOYSA-N
Mol Weight 798.9 g/mol
Molecular Formula C44H50N2O12
Exact Mass 798.336375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bw6ay87d4DG
Name 2,2'-([5,17-BIS-(1,1-DIMETHYLETHYL)-25,27-DIHYDROXY-11,23-DINITROCALIX-[4]-ARENE-26,28-DIYL]-BIS-[OXY])-BIS-(ACETIC-ACID)-DIETHYLESTER
CAS Registry Number 137571-08-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H50N2O12
InChI InChI=1S/C44H50N2O12/c1-9-55-37(47)23-57-41-29-11-25-19-35(45(51)52)21-27(39(25)49)13-31-17-34(44(6,7)8)18-32(42(31)58-24-38(48)56-10-2)14-28-22-36(46(53)54)20-26(40(28)50)12-30(41)16-33(15-29)43(3,4)5/h15-22,49-50H,9-14,23-24H2,1-8H3
InChIKey HAFNBIYTAPSPOG-UHFFFAOYSA-N
Literature Reference Author W.VERBOOM,A.DURIE,R.J.M.EGBERINK,Z.ASFARI,D.N.REINHOUDT
Literature Reference Citation J.ORG.CHEM.,57,1313(1992)
Literature Reference DOI 10.1021/jo00030a050
Molecular Weight 798.887 g/mol
Solvent CDCl3
Source File Reference UWCS3388