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5,17-BIS-(3-HYDROXYPROPYL)-25,26,27,28-TETRAPROPOXY-CALIX-[4]-ARENE
SpectraBase Compound ID Agj7BZUTeMz
InChI InChI=1S/C46H60O6/c1-5-21-49-43-35-15-9-16-36(43)30-40-26-34(14-12-20-48)28-42(46(40)52-24-8-4)32-38-18-10-17-37(44(38)50-22-6-2)31-41-27-33(13-11-19-47)25-39(29-35)45(41)51-23-7-3/h9-10,15-18,25-28,47-48H,5-8,11-14,19-24,29-32H2,1-4H3
InChIKey YCXIOIIFMMRYKF-UHFFFAOYSA-N
Mol Weight 709.0 g/mol
Molecular Formula C46H60O6
Exact Mass 708.43899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQag53TKTfF
Name 5,17-BIS-(3-HYDROXYPROPYL)-25,26,27,28-TETRAPROPOXY-CALIX-[4]-ARENE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H60O6
InChI InChI=1S/C46H60O6/c1-5-21-49-43-35-15-9-16-36(43)30-40-26-34(14-12-20-48)28-42(46(40)52-24-8-4)32-38-18-10-17-37(44(38)50-22-6-2)31-41-27-33(13-11-19-47)25-39(29-35)45(41)51-23-7-3/h9-10,15-18,25-28,47-48H,5-8,11-14,19-24,29-32H2,1-4H3
InChIKey YCXIOIIFMMRYKF-UHFFFAOYSA-N
Literature Reference Author A.DONDONI,M.KLEBAN,X.HU,A.MARRA,H.D.BANKS
Literature Reference Citation J.ORG.CHEM.,67,4722(2002)
Literature Reference DOI 10.1021/jo020178z
Molecular Weight 708.979 g/mol
Solvent CDCl3
Source File Reference UWSI21725