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9-Oxo-9H-thioxanthene-1,3-diyl bis(trifluoromethanesulfonate)
SpectraBase Compound ID 8U9jkqZqjh3
InChI InChI=1S/C15H6F6O7S3/c16-14(17,18)30(23,24)27-7-5-9(28-31(25,26)15(19,20)21)12-11(6-7)29-10-4-2-1-3-8(10)13(12)22/h1-6H
InChIKey POYGQNKDBTXYPK-UHFFFAOYSA-N
Mol Weight 508.38 g/mol
Molecular Formula C15H6F6O7S3
Exact Mass 507.917985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pWZqRiHTmD
Name 9-Oxo-9H-thioxanthene-1,3-diyl bis(trifluoromethanesulfonate)
Alternate Name(s) Trifluoromethanesulfonic acid [9-oxo-1-(trifluoromethylsulfonyloxy)-3-thioxanthenyl] ester [9-oxo-1-(trifluoromethylsulfonyloxy)thioxanthen-3-yl] trifluoromethanesulfonate [9-oxidanylidene-1-(trifluoromethylsulfonyloxy)thioxanthen-3-yl] tris(fluoranyl)methanesulfonate
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Formula C15H6F6O7S3
InChI InChI=1S/C15H6F6O7S3/c16-14(17,18)30(23,24)27-7-5-9(28-31(25,26)15(19,20)21)12-11(6-7)29-10-4-2-1-3-8(10)13(12)22/h1-6H
InChIKey POYGQNKDBTXYPK-UHFFFAOYSA-N
Molecular Weight 508.376 g/mol
SMILES C(S(Oc1c2C(c3ccccc3Sc2cc(OS(C(F)(F)F)(=O)=O)c1)=O)(=O)=O)(F)(F)F
SPLASH splash10-0a4i-0051090000-86e1744df8d260261212
Source of Spectrum F-68-714-2
Wiley ID 1707510