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1,4-Bis(4-methylphenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
SpectraBase Compound ID 360PCHveo3n
InChI InChI=1S/C29H19F3O5S/c1-16-7-11-18(12-8-16)22-15-23(37-38(35,36)29(30,31)32)24(19-13-9-17(2)10-14-19)26-25(22)27(33)20-5-3-4-6-21(20)28(26)34/h3-15H,1-2H3
InChIKey MOYLJJHPJUNVGQ-UHFFFAOYSA-N
Mol Weight 536.52 g/mol
Molecular Formula C29H19F3O5S
Exact Mass 536.090529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nBBQXa6fzO
Name 1,4-Bis(4-methylphenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
Alternate Name(s) Trifluoromethanesulfonic acid [1,4-bis(4-methylphenyl)-9,10-dioxo-2-anthracenyl] ester [1,4-bis(4-methylphenyl)-9,10-dioxoanthracen-2-yl] trifluoromethanesulfonate [9,10-dioxo-1,4-bis(p-tolyl)-2-anthryl] trifluoromethanesulfonate [1,4-bis(4-methylphenyl)-9,10-bis(oxidanylidene)anthracen-2-yl] tris(fluoranyl)methanesulfonate
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Formula C29H19F3O5S
InChI InChI=1S/C29H19F3O5S/c1-16-7-11-18(12-8-16)22-15-23(37-38(35,36)29(30,31)32)24(19-13-9-17(2)10-14-19)26-25(22)27(33)20-5-3-4-6-21(20)28(26)34/h3-15H,1-2H3
InChIKey MOYLJJHPJUNVGQ-UHFFFAOYSA-N
Molecular Weight 536.521 g/mol
SMILES C(S(Oc1c(c2C(c3ccccc3C(c2c(c1)-c1ccc(cc1)C)=O)=O)-c1ccc(cc1)C)(=O)=O)(F)(F)F
SPLASH splash10-000i-0005390000-6987d3128337b5dbcdd1
Source of Spectrum U1-2011-2085-10c
Wiley ID 1665523