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1-(4-Chlorophenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
SpectraBase Compound ID BiNM2UUnL4R
InChI InChI=1S/C21H10ClF3O5S/c22-12-7-5-11(6-8-12)17-16(30-31(28,29)21(23,24)25)10-9-15-18(17)20(27)14-4-2-1-3-13(14)19(15)26/h1-10H
InChIKey MHOBNSHREZKZPN-UHFFFAOYSA-N
Mol Weight 466.81 g/mol
Molecular Formula C21H10ClF3O5S
Exact Mass 465.988957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14H3GeWSdP
Name 1-(4-Chlorophenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
Alternate Name(s) 1-(4-Chlorophenyl)-2-[(trifluoromethyl)sulfonyloxy]-anthraquinone Trifluoro-methanesulfonic acid 1-(4-chloro-phenyl)-9,10-dioxo-9,10-dihydro-anthracen-2-yl ester
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Formula C21H10ClF3O5S
InChI InChI=1S/C21H10ClF3O5S/c22-12-7-5-11(6-8-12)17-16(30-31(28,29)21(23,24)25)10-9-15-18(17)20(27)14-4-2-1-3-13(14)19(15)26/h1-10H
InChIKey MHOBNSHREZKZPN-UHFFFAOYSA-N
Molecular Weight 466.814 g/mol
SMILES C(S(Oc1c(c2C(c3ccccc3C(c2cc1)=O)=O)-c1ccc(cc1)Cl)(=O)=O)(F)(F)F
SPLASH splash10-00lr-0039500000-cc1984caee7510435c92
Source of Spectrum U1-2011-2081-5d
Wiley ID 1665213