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5-(1,1-DIMETHYLETHYL)-11,17,23-TRINITRO-25,26,27,28-TETRACALIX-[4]-ARENE
SpectraBase Compound ID B0vSC6v88Sz
InChI InChI=1S/C44H53N3O10/c1-8-12-54-40-28-16-30-22-37(45(48)49)24-32(41(30)55-13-9-2)18-34-26-39(47(52)53)27-35(43(34)57-15-11-4)19-33-25-38(46(50)51)23-31(42(33)56-14-10-3)17-29(40)21-36(20-28)44(5,6)7/h20-27H,8-19H2,1-7H3
InChIKey HBVPINCUWGTTHA-UHFFFAOYSA-N
Mol Weight 783.9 g/mol
Molecular Formula C44H53N3O10
Exact Mass 783.373095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3VdNNerjk8
Name 5-(1,1-DIMETHYLETHYL)-11,17,23-TRINITRO-25,26,27,28-TETRACALIX-[4]-ARENE
CAS Registry Number 137571-12-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H53N3O10
InChI InChI=1S/C44H53N3O10/c1-8-12-54-40-28-16-30-22-37(45(48)49)24-32(41(30)55-13-9-2)18-34-26-39(47(52)53)27-35(43(34)57-15-11-4)19-33-25-38(46(50)51)23-31(42(33)56-14-10-3)17-29(40)21-36(20-28)44(5,6)7/h20-27H,8-19H2,1-7H3
InChIKey HBVPINCUWGTTHA-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 783.919 g/mol
Solvent CDCl3
Source File Reference UWCS3392