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1-[4-(Trifluoromethyl)phenyl]-2-[(trifluoromethyl)sulfonyloxy]-anthraquinone
SpectraBase Compound ID 9lPxAjouR0L
InChI InChI=1S/C22H10F6O5S/c23-21(24,25)12-7-5-11(6-8-12)17-16(33-34(31,32)22(26,27)28)10-9-15-18(17)20(30)14-4-2-1-3-13(14)19(15)29/h1-10H
InChIKey CGKWMUGILDVABC-UHFFFAOYSA-N
Mol Weight 500.37 g/mol
Molecular Formula C22H10F6O5S
Exact Mass 500.015314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ypRGjtyT9u
Name 1-[4-(Trifluoromethyl)phenyl]-2-[(trifluoromethyl)sulfonyloxy]-anthraquinone
Alternate Name(s) Trifluoro-methanesulfonic acid 9,10-dioxo-1-(4-trifluoromethyl-phenyl)-9,10-dihydro-anthracen-2-yl ester
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Formula C22H10F6O5S
InChI InChI=1S/C22H10F6O5S/c23-21(24,25)12-7-5-11(6-8-12)17-16(33-34(31,32)22(26,27)28)10-9-15-18(17)20(30)14-4-2-1-3-13(14)19(15)29/h1-10H
InChIKey CGKWMUGILDVABC-UHFFFAOYSA-N
Molecular Weight 500.367 g/mol
SMILES C(S(Oc1c(c2C(c3ccccc3C(c2cc1)=O)=O)-c1ccc(C(F)(F)F)cc1)(=O)=O)(F)(F)F
SPLASH splash10-014i-0019230000-d82b266a1311070ebb56
Source of Spectrum U1-2011-2080-5a
Wiley ID 1665545