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2,2',2'',2'''-([5,11,17,23-TETRANITROCALIX-[4]-ARENE-25,26,27,28-TETRAYL]-TETRAKIS-[OXY]-TETRAKIS-(ACETIC-ACID)-TETRAMETHYLESTER

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2,2',2'',2'''-([5,11,17,23-TETRANITROCALIX-[4]-ARENE-25,26,27,28-TETRAYL]-TETRAKIS-[OXY]-TETRAKIS-(ACETIC-ACID)-TETRAMETHYLESTER
SpectraBase Compound ID 8VNorZdJbSi
InChI InChI=1S/C44H44N4O20/c1-5-61-37(49)21-65-41-25-9-27-15-34(46(55)56)17-29(42(27)66-22-38(50)62-6-2)11-31-19-36(48(59)60)20-32(44(31)68-24-40(52)64-8-4)12-30-18-35(47(57)58)16-28(43(30)67-23-39(51)63-7-3)10-26(41)14-33(13-25)45(53)54/h13-20H,5-12,21-24H2,1-4H3
InChIKey QVIJCUWCAFNHDH-UHFFFAOYSA-N
Mol Weight 948.8 g/mol
Molecular Formula C44H44N4O20
Exact Mass 948.25489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Blo4OYt4C9G
Name 2,2',2'',2'''-([5,11,17,23-TETRANITROCALIX-[4]-ARENE-25,26,27,28-TETRAYL]-TETRAKIS-[OXY]-TETRAKIS-(ACETIC-ACID)-TETRAMETHYLESTER
CAS Registry Number 137594-00-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H44N4O20
InChI InChI=1S/C44H44N4O20/c1-5-61-37(49)21-65-41-25-9-27-15-34(46(55)56)17-29(42(27)66-22-38(50)62-6-2)11-31-19-36(48(59)60)20-32(44(31)68-24-40(52)64-8-4)12-30-18-35(47(57)58)16-28(43(30)67-23-39(51)63-7-3)10-26(41)14-33(13-25)45(53)54/h13-20H,5-12,21-24H2,1-4H3
InChIKey QVIJCUWCAFNHDH-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 948.848 g/mol
Solvent CDCl3
Source File Reference UWCS3386