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1,4-Bis(4-ethylphenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
SpectraBase Compound ID AcZRVJui2jv
InChI InChI=1S/C31H23F3O5S/c1-3-18-9-13-20(14-10-18)24-17-25(39-40(37,38)31(32,33)34)26(21-15-11-19(4-2)12-16-21)28-27(24)29(35)22-7-5-6-8-23(22)30(28)36/h5-17H,3-4H2,1-2H3
InChIKey OZLNXETWEBYKPY-UHFFFAOYSA-N
Mol Weight 564.58 g/mol
Molecular Formula C31H23F3O5S
Exact Mass 564.121829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dh5KvwRIu
Name 1,4-Bis(4-ethylphenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
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Formula C31H23F3O5S
InChI InChI=1S/C31H23F3O5S/c1-3-18-9-13-20(14-10-18)24-17-25(39-40(37,38)31(32,33)34)26(21-15-11-19(4-2)12-16-21)28-27(24)29(35)22-7-5-6-8-23(22)30(28)36/h5-17H,3-4H2,1-2H3
InChIKey OZLNXETWEBYKPY-UHFFFAOYSA-N
Molecular Weight 564.575 g/mol
SMILES C(S(Oc1c(c2C(c3ccccc3C(c2c(c1)-c1ccc(cc1)CC)=O)=O)-c1ccc(cc1)CC)(=O)=O)(F)(F)F
SPLASH splash10-0fe0-0005390000-7c28c9a9c4d2e3b791b6
Source of Spectrum U1-2011-2085-10d
Synonyms 1,4-Bis(4-ethylphenyl)-2-[(trifluoromethyl)sulfonyloxy]-anthraquinone Trifluoro-methanesulfonic acid 1,4-bis-(4-ethyl-phenyl)-9,10-dioxo-9,10-dihydro-anthracen-2-yl ester Trifluoromethanesulfonic acid [1,4-bis(4-ethylphenyl)-9,10-dioxo-2-anthracenyl] ester [1,4-bis(4-ethylphenyl)-9,10-dioxoanthracen-2-yl] trifluoromethanesulfonate [1,4-bis(4-ethylphenyl)-9,10-dioxo-2-anthryl] trifluoromethanesulfonate [1,4-bis(4-ethylphenyl)-9,10-bis(oxidanylidene)anthracen-2-yl] tris(fluoranyl)methanesulfonate
Wiley ID 1665522