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1-(3-Methoxyphenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
SpectraBase Compound ID 2KXLv2oAfnT
InChI InChI=1S/C22H13F3O6S/c1-30-13-6-4-5-12(11-13)18-17(31-32(28,29)22(23,24)25)10-9-16-19(18)21(27)15-8-3-2-7-14(15)20(16)26/h2-11H,1H3
InChIKey JBBPEROVCWIWCD-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 6rijPOmZBk1
Name 1-(3-Methoxyphenyl)-2-[(trifluoromethyl)sulfonyloxy]anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13F3O6S
InChI InChI=1S/C22H13F3O6S/c1-30-13-6-4-5-12(11-13)18-17(31-32(28,29)22(23,24)25)10-9-16-19(18)21(27)15-8-3-2-7-14(15)20(16)26/h2-11H,1H3
InChIKey JBBPEROVCWIWCD-UHFFFAOYSA-N
Molecular Weight 462.395 g/mol
SMILES C(S(Oc1c(c2C(c3ccccc3C(c2cc1)=O)=O)-c1cc(OC)ccc1)(=O)=O)(F)(F)F
SPLASH splash10-01t9-0029300000-358dab730670f865589d
Source of Spectrum U1-2011-2081-5f
Wiley ID 1665540