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5,17-DIBROMO-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE

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5,17-DIBROMO-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
SpectraBase Compound ID H6V4jd0YAK8
InChI InChI=1S/C34H34Br2O4/c1-3-11-39-33-21-7-5-8-22(33)14-26-18-30(36)20-28(32(26)38)16-24-10-6-9-23(34(24)40-12-4-2)15-27-19-29(35)17-25(13-21)31(27)37/h5-10,17-20,37-38H,3-4,11-16H2,1-2H3
InChIKey NHTBSNJGOLUDGT-UHFFFAOYSA-N
Mol Weight 666.5 g/mol
Molecular Formula C34H34Br2O4
Exact Mass 664.082386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SWqA6xzG2w
Name 5,17-DIBROMO-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H34Br2O4
InChI InChI=1S/C34H34Br2O4/c1-3-11-39-33-21-7-5-8-22(33)14-26-18-30(36)20-28(32(26)38)16-24-10-6-9-23(34(24)40-12-4-2)15-27-19-29(35)17-25(13-21)31(27)37/h5-10,17-20,37-38H,3-4,11-16H2,1-2H3
InChIKey NHTBSNJGOLUDGT-UHFFFAOYSA-N
Literature Reference Author A.DONDONI,C.GHIGLIONE,A.MARRA,M.SCOPONI
Literature Reference Citation J.ORG.CHEM.,63,9535(1998)
Literature Reference DOI 10.1021/jo980868w
Molecular Weight 666.450 g/mol
Sample ID 26639
Solvent CDCl3