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1-(4-Methoxyphenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
SpectraBase Compound ID 9xeCWkLE2c2
InChI InChI=1S/C22H13F3O6S/c1-30-13-8-6-12(7-9-13)18-17(31-32(28,29)22(23,24)25)11-10-16-19(18)21(27)15-5-3-2-4-14(15)20(16)26/h2-11H,1H3
InChIKey VJLHPAKMIMNFTP-UHFFFAOYSA-N
Mol Weight 462.4 g/mol
Molecular Formula C22H13F3O6S
Exact Mass 462.038494 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TZoYSMdhKB
Name 1-(4-Methoxyphenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13F3O6S
InChI InChI=1S/C22H13F3O6S/c1-30-13-8-6-12(7-9-13)18-17(31-32(28,29)22(23,24)25)11-10-16-19(18)21(27)15-5-3-2-4-14(15)20(16)26/h2-11H,1H3
InChIKey VJLHPAKMIMNFTP-UHFFFAOYSA-N
Molecular Weight 462.395 g/mol
SMILES C(S(Oc1c(c2C(c3ccccc3C(c2cc1)=O)=O)-c1ccc(cc1)OC)(=O)=O)(F)(F)F
SPLASH splash10-01t9-0019400000-8820a7798c9107d39c45
Source of Spectrum U1-2011-2081-5b
Wiley ID 1665544