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5,11-BIS-(1,1-DIMETHYLETHYL)-17,23-NITRO-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID DctQ33u4d0f
InChI InChI=1S/C48H62N2O8/c1-11-15-55-43-31-19-32-24-40(48(8,9)10)26-34(44(32)56-16-12-2)21-36-28-42(50(53)54)30-38(46(36)58-18-14-4)22-37-29-41(49(51)52)27-35(45(37)57-17-13-3)20-33(43)25-39(23-31)47(5,6)7/h23-30H,11-22H2,1-10H3
InChIKey RJHBTKFOXSUXRQ-UHFFFAOYSA-N
Mol Weight 795.0 g/mol
Molecular Formula C48H62N2O8
Exact Mass 794.450617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8ke4NL5WZy
Name 5,11-BIS-(1,1-DIMETHYLETHYL)-17,23-NITRO-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE
CAS Registry Number 137571-10-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H62N2O8
InChI InChI=1S/C48H62N2O8/c1-11-15-55-43-31-19-32-24-40(48(8,9)10)26-34(44(32)56-16-12-2)21-36-28-42(50(53)54)30-38(46(36)58-18-14-4)22-37-29-41(49(51)52)27-35(45(37)57-17-13-3)20-33(43)25-39(23-31)47(5,6)7/h23-30H,11-22H2,1-10H3
InChIKey RJHBTKFOXSUXRQ-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 795.029 g/mol
Solvent CDCl3
Source File Reference UWCS3390