John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=12JNtxN0p9k SpectraBase Spectrum ID=BkX5FuU2SMJ

(accessed ).
1,4-BIS-(4-NONYLOXYPHENYL)-6,7-DIMETHYL-ANTHRAQUINONE
SpectraBase Compound ID 12JNtxN0p9k
InChI InChI=1S/C46H56O4/c1-5-7-9-11-13-15-17-29-49-37-23-19-35(20-24-37)39-27-28-40(36-21-25-38(26-22-36)50-30-18-16-14-12-10-8-6-2)44-43(39)45(47)41-31-33(3)34(4)32-42(41)46(44)48/h19-28,31-32H,5-18,29-30H2,1-4H3
InChIKey WMICWQBUPWOHKU-UHFFFAOYSA-N
Mol Weight 673.0 g/mol
Molecular Formula C46H56O4
Exact Mass 672.417861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkX5FuU2SMJ
Name 1,4-BIS-(4-NONYLOXYPHENYL)-6,7-DIMETHYL-ANTHRAQUINONE
Compound Number 4I
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H56O4
InChI InChI=1S/C46H56O4/c1-5-7-9-11-13-15-17-29-49-37-23-19-35(20-24-37)39-27-28-40(36-21-25-38(26-22-36)50-30-18-16-14-12-10-8-6-2)44-43(39)45(47)41-31-33(3)34(4)32-42(41)46(44)48/h19-28,31-32H,5-18,29-30H2,1-4H3
InChIKey WMICWQBUPWOHKU-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 672.948 g/mol
Sample ID 69355
Solvent CDCl3
SpectraBase Batch ID 67SEY2NXgDK