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5,17-BIS-(1,1-DIMETHYLETHYL)-25,27-DIHYDROXY-11,23-DINITRO-26,22-DIPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID 5sbb5yd9JHE
InChI InChI=1S/C42H50N2O8/c1-9-11-51-39-29-13-25-21-35(43(47)48)23-27(37(25)45)15-31-19-34(42(6,7)8)20-32(40(31)52-12-10-2)16-28-24-36(44(49)50)22-26(38(28)46)14-30(39)18-33(17-29)41(3,4)5/h17-24,45-46H,9-16H2,1-8H3
InChIKey ABYPWXUPMWVYMP-UHFFFAOYSA-N
Mol Weight 710.9 g/mol
Molecular Formula C42H50N2O8
Exact Mass 710.356717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JA16hT87qrT
Name 5,17-BIS-(1,1-DIMETHYLETHYL)-25,27-DIHYDROXY-11,23-DINITRO-26,22-DIPROPOXYCALIX-[4]-ARENE
CAS Registry Number 137571-07-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H50N2O8
InChI InChI=1S/C42H50N2O8/c1-9-11-51-39-29-13-25-21-35(43(47)48)23-27(37(25)45)15-31-19-34(42(6,7)8)20-32(40(31)52-12-10-2)16-28-24-36(44(49)50)22-26(38(28)46)14-30(39)18-33(17-29)41(3,4)5/h17-24,45-46H,9-16H2,1-8H3
InChIKey ABYPWXUPMWVYMP-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 710.868 g/mol
Solvent CDCl3
Source File Reference UWCS3387