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1,4-BIS-(4-HEPTOXYPHENYL)-6,7-DIMETHYL-ANTHRAQUINONE

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1,4-BIS-(4-HEPTOXYPHENYL)-6,7-DIMETHYL-ANTHRAQUINONE
SpectraBase Compound ID DOP4JF7oLVJ
InChI InChI=1S/C42H48O4/c1-5-7-9-11-13-25-45-33-19-15-31(16-20-33)35-23-24-36(32-17-21-34(22-18-32)46-26-14-12-10-8-6-2)40-39(35)41(43)37-27-29(3)30(4)28-38(37)42(40)44/h15-24,27-28H,5-14,25-26H2,1-4H3
InChIKey HVHBPFLCTBBTIC-UHFFFAOYSA-N
Mol Weight 616.8 g/mol
Molecular Formula C42H48O4
Exact Mass 616.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yyiTF2mRa7
Name 1,4-BIS-(4-HEPTOXYPHENYL)-6,7-DIMETHYL-ANTHRAQUINONE
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H48O4
InChI InChI=1S/C42H48O4/c1-5-7-9-11-13-25-45-33-19-15-31(16-20-33)35-23-24-36(32-17-21-34(22-18-32)46-26-14-12-10-8-6-2)40-39(35)41(43)37-27-29(3)30(4)28-38(37)42(40)44/h15-24,27-28H,5-14,25-26H2,1-4H3
InChIKey HVHBPFLCTBBTIC-UHFFFAOYSA-N
Literature Reference Author T.THIEMANN,Y.TANAKA,J.INIESTA
Literature Reference Citation MOLECULES,14,1013(2009)
Literature Reference DOI 10.3390/molecules14031013
Molecular Weight 616.841 g/mol
Sample ID 69354
Solvent CDCl3