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1,4-Bis(4-tert-butylphenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
SpectraBase Compound ID 6RpsTLr3c3e
InChI InChI=1S/C35H31F3O5S/c1-33(2,3)22-15-11-20(12-16-22)26-19-27(43-44(41,42)35(36,37)38)28(21-13-17-23(18-14-21)34(4,5)6)30-29(26)31(39)24-9-7-8-10-25(24)32(30)40/h7-19H,1-6H3
InChIKey NXINHWGYKMYLIL-UHFFFAOYSA-N
Mol Weight 620.7 g/mol
Molecular Formula C35H31F3O5S
Exact Mass 620.18443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1wC4xigcj9
Name 1,4-Bis(4-tert-butylphenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
Alternate Name(s) 1,4-Bis[4-(tert-butyl)phenyl]-2-[(trifluoromethyl)sulfonyloxy]-anthraquinone Trifluoro-methanesulfonic acid 1,4-bis-(4-tert-butyl-phenyl)-9,10-dioxo-9,10-dihydro-anthracen-2-yl ester Trifluoromethanesulfonic acid [1,4-bis(4-tert-butylphenyl)-9,10-dioxo-2-anthracenyl] ester [1,4-bis(4-tert-butylphenyl)-9,10-dioxoanthracen-2-yl] trifluoromethanesulfonate [1,4-bis(4-tert-butylphenyl)-9,10-dioxo-2-anthryl] trifluoromethanesulfonate [1,4-bis(4-tert-butylphenyl)-9,10-bis(oxidanylidene)anthracen-2-yl] tris(fluoranyl)methanesulfonate
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Formula C35H31F3O5S
InChI InChI=1S/C35H31F3O5S/c1-33(2,3)22-15-11-20(12-16-22)26-19-27(43-44(41,42)35(36,37)38)28(21-13-17-23(18-14-21)34(4,5)6)30-29(26)31(39)24-9-7-8-10-25(24)32(30)40/h7-19H,1-6H3
InChIKey NXINHWGYKMYLIL-UHFFFAOYSA-N
Molecular Weight 620.683 g/mol
SMILES C(S(Oc1c(c2C(c3ccccc3C(c2c(c1)-c1ccc(C(C)(C)C)cc1)=O)=O)-c1ccc(C(C)(C)C)cc1)(=O)=O)(F)(F)F
SPLASH splash10-03di-0000094000-2b59d5173bbe7d2602e1
Source of Spectrum U1-2011-2084-10b
Wiley ID 1665146