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5,17-DIALLYL-25,26,27,28-TETRAPROPOXY-CALIX-[4]-ARENE

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5,17-DIALLYL-25,26,27,28-TETRAPROPOXY-CALIX-[4]-ARENE
SpectraBase Compound ID 16rA6y6xMUe
InChI InChI=1S/C46H56O4/c1-7-15-33-25-39-29-35-17-13-19-37(43(35)47-21-9-3)31-41-27-34(16-8-2)28-42(46(41)50-24-12-6)32-38-20-14-18-36(44(38)48-22-10-4)30-40(26-33)45(39)49-23-11-5/h7-8,13-14,17-20,25-28H,1-2,9-12,15-16,21-24,29-32H2,3-6H3
InChIKey DBYGAFSDKNMLIR-UHFFFAOYSA-N
Mol Weight 673.0 g/mol
Molecular Formula C46H56O4
Exact Mass 672.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVuhbPH0AqH
Name 5,17-DIALLYL-25,26,27,28-TETRAPROPOXY-CALIX-[4]-ARENE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H56O4
InChI InChI=1S/C46H56O4/c1-7-15-33-25-39-29-35-17-13-19-37(43(35)47-21-9-3)31-41-27-34(16-8-2)28-42(46(41)50-24-12-6)32-38-20-14-18-36(44(38)48-22-10-4)30-40(26-33)45(39)49-23-11-5/h7-8,13-14,17-20,25-28H,1-2,9-12,15-16,21-24,29-32H2,3-6H3
InChIKey DBYGAFSDKNMLIR-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 672.948 g/mol
Solvent CDCl3
Source File Reference UWSI21724