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25,26,27,28-TETRAKIS-(ETHOXYETHOXY)-5,17-DINITROCALIX-[4]-ARENE
SpectraBase Compound ID BW7UzakJjZK
InChI InChI=1S/C44H54N2O12/c1-5-51-15-19-55-41-31-11-9-12-32(41)24-36-28-40(46(49)50)30-38(44(36)58-22-18-54-8-4)26-34-14-10-13-33(42(34)56-20-16-52-6-2)25-37-29-39(45(47)48)27-35(23-31)43(37)57-21-17-53-7-3/h9-14,27-30H,5-8,15-26H2,1-4H3
InChIKey LJXSJVFWDRQDPJ-UHFFFAOYSA-N
Mol Weight 802.9 g/mol
Molecular Formula C44H54N2O12
Exact Mass 802.367675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8X47SzpUR4
Name 25,26,27,28-TETRAKIS-(ETHOXYETHOXY)-5,17-DINITROCALIX-[4]-ARENE
CAS Registry Number 137571-17-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H54N2O12
InChI InChI=1S/C44H54N2O12/c1-5-51-15-19-55-41-31-11-9-12-32(41)24-36-28-40(46(49)50)30-38(44(36)58-22-18-54-8-4)26-34-14-10-13-33(42(34)56-20-16-52-6-2)25-37-29-39(45(47)48)27-35(23-31)43(37)57-21-17-53-7-3/h9-14,27-30H,5-8,15-26H2,1-4H3
InChIKey LJXSJVFWDRQDPJ-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 802.919 g/mol
Solvent CDCl3
Source File Reference UWCS3394