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2,2',2'',6,6',6''-HEXAACETOXY-1,1':5',1''-TERNAPHTHALENE

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2,2',2'',6,6',6''-HEXAACETOXY-1,1':5',1''-TERNAPHTHALENE
SpectraBase Compound ID 1f6lpUSqYF7
InChI InChI=1S/C42H32O12/c1-21(43)49-29-9-11-31-27(19-29)7-15-35(51-23(3)45)39(31)41-33-13-18-38(54-26(6)48)42(34(33)14-17-37(41)53-25(5)47)40-32-12-10-30(50-22(2)44)20-28(32)8-16-36(40)52-24(4)46/h7-20H,1-6H3
InChIKey BMKZPUBNQADBFD-UHFFFAOYSA-N
Mol Weight 728.7 g/mol
Molecular Formula C42H32O12
Exact Mass 728.189376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQa5L9E258A
Name 2,2',2'',6,6',6''-HEXAACETOXY-1,1':5',1''-TERNAPHTHALENE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H32O12
InChI InChI=1S/C42H32O12/c1-21(43)49-29-9-11-31-27(19-29)7-15-35(51-23(3)45)39(31)41-33-13-18-38(54-26(6)48)42(34(33)14-17-37(41)53-25(5)47)40-32-12-10-30(50-22(2)44)20-28(32)8-16-36(40)52-24(4)46/h7-20H,1-6H3
InChIKey BMKZPUBNQADBFD-UHFFFAOYSA-N
Literature Reference Author G.H.MARIN,V.HORAK
Literature Reference Citation J.ORG.CHEM.,59,4267(1994)
Literature Reference DOI 10.1021/jo00094a045
Molecular Weight 728.709 g/mol
Solvent CDCl3
Source File Reference UWCP2788