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

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5,11,17,23-TETRAAMINO-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID 9Hf2xqtMyCm
InChI InChI=1S/C40H52N4O4/c1-5-9-45-37-25-13-27-19-34(42)21-29(38(27)46-10-6-2)15-31-23-36(44)24-32(40(31)48-12-8-4)16-30-22-35(43)20-28(39(30)47-11-7-3)14-26(37)18-33(41)17-25/h17-24H,5-16,41-44H2,1-4H3
InChIKey MPJZUXUJUVQTPE-UHFFFAOYSA-N
Mol Weight 652.9 g/mol
Molecular Formula C40H52N4O4
Exact Mass 652.398856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgNCFz8cJuo
Name 5,11,17,23-TETRAAMINO-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52N4O4
InChI InChI=1S/C40H52N4O4/c1-5-9-45-37-25-13-27-19-34(42)21-29(38(27)46-10-6-2)15-31-23-36(44)24-32(40(31)48-12-8-4)16-30-22-35(43)20-28(39(30)47-11-7-3)14-26(37)18-33(41)17-25/h17-24H,5-16,41-44H2,1-4H3
InChIKey MPJZUXUJUVQTPE-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 652.877 g/mol
Solvent CDCl3
Source File Reference UWLU30505