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5,11,17,23-TETRANITRO-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE

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5,11,17,23-TETRANITRO-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID DhiMPwBv77v
InChI InChI=1S/C40H44N4O12/c1-5-9-53-37-25-13-27-19-34(42(47)48)21-29(38(27)54-10-6-2)15-31-23-36(44(51)52)24-32(40(31)56-12-8-4)16-30-22-35(43(49)50)20-28(39(30)55-11-7-3)14-26(37)18-33(17-25)41(45)46/h17-24H,5-16H2,1-4H3
InChIKey BLIDLPRTQXDEAH-UHFFFAOYSA-N
Mol Weight 772.8 g/mol
Molecular Formula C40H44N4O12
Exact Mass 772.295573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YLiDX2vtQq
Name 5,11,17,23-TETRANITRO-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44N4O12
InChI InChI=1S/C40H44N4O12/c1-5-9-53-37-25-13-27-19-34(42(47)48)21-29(38(27)54-10-6-2)15-31-23-36(44(51)52)24-32(40(31)56-12-8-4)16-30-22-35(43(49)50)20-28(39(30)55-11-7-3)14-26(37)18-33(17-25)41(45)46/h17-24H,5-16H2,1-4H3
InChIKey BLIDLPRTQXDEAH-UHFFFAOYSA-N
Literature Reference Author A.M.RINCON,P.PRADOS,J.D.MENDOZA
Literature Reference Citation J.AM.CHEM.SOC.,123,3493(2001)
Literature Reference DOI 10.1021/ja0036054
Molecular Weight 772.809 g/mol
Solvent CDCl3
Source File Reference UWLU30504