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5,17-BIS-(1,1-DIMETHYLETHYL)-11,23-DINITRO-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID 890wWNFafoo
InChI InChI=1S/C48H62N2O8/c1-11-15-55-43-31-19-35-27-41(49(51)52)29-37(45(35)57-17-13-3)21-33-25-40(48(8,9)10)26-34(44(33)56-16-12-2)22-38-30-42(50(53)54)28-36(46(38)58-18-14-4)20-32(43)24-39(23-31)47(5,6)7/h23-30H,11-22H2,1-10H3
InChIKey BPBBBQNUKMMZEG-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 5fRt9Zix2xO
Name 5,17-BIS-(1,1-DIMETHYLETHYL)-11,23-DINITRO-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE
CAS Registry Number 137571-11-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H62N2O8
InChI InChI=1S/C48H62N2O8/c1-11-15-55-43-31-19-35-27-41(49(51)52)29-37(45(35)57-17-13-3)21-33-25-40(48(8,9)10)26-34(44(33)56-16-12-2)22-38-30-42(50(53)54)28-36(46(38)58-18-14-4)20-32(43)24-39(23-31)47(5,6)7/h23-30H,11-22H2,1-10H3
InChIKey BPBBBQNUKMMZEG-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 UWCS3391