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25,26,27,28-TETRAKIS-(ETHOXYETHOXY)-5,11,17,23-TETRANITRO-CALIX-[4]-ARENE
SpectraBase Compound ID B86KM6JKD2L
InChI InChI=1S/C44H52N4O16/c1-5-57-9-13-61-41-29-17-31-23-38(46(51)52)25-33(42(31)62-14-10-58-6-2)19-35-27-40(48(55)56)28-36(44(35)64-16-12-60-8-4)20-34-26-39(47(53)54)24-32(43(34)63-15-11-59-7-3)18-30(41)22-37(21-29)45(49)50/h21-28H,5-20H2,1-4H3
InChIKey FLVWVNHTVUQBBJ-UHFFFAOYSA-N
Mol Weight 892.9 g/mol
Molecular Formula C44H52N4O16
Exact Mass 892.337832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rQ2HuM0IeQ
Name 25,26,27,28-TETRAKIS-(ETHOXYETHOXY)-5,11,17,23-TETRANITRO-CALIX-[4]-ARENE
CAS Registry Number 137571-06-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H52N4O16
InChI InChI=1S/C44H52N4O16/c1-5-57-9-13-61-41-29-17-31-23-38(46(51)52)25-33(42(31)62-14-10-58-6-2)19-35-27-40(48(55)56)28-36(44(35)64-16-12-60-8-4)20-34-26-39(47(53)54)24-32(43(34)63-15-11-59-7-3)18-30(41)22-37(21-29)45(49)50/h21-28H,5-20H2,1-4H3
InChIKey FLVWVNHTVUQBBJ-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 892.914 g/mol
Solvent CDCl3
Source File Reference UWCS3385