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3-(4-Chlorophenyl)-9-oxo-9H-thioxanthen-1-yltrifluoromethanesulfonate
SpectraBase Compound ID 6PfYM4z2kdM
InChI InChI=1S/C20H10ClF3O4S2/c21-13-7-5-11(6-8-13)12-9-15(28-30(26,27)20(22,23)24)18-17(10-12)29-16-4-2-1-3-14(16)19(18)25/h1-10H
InChIKey KELFKNPHNCWIOU-UHFFFAOYSA-N
Mol Weight 470.86 g/mol
Molecular Formula C20H10ClF3O4S2
Exact Mass 469.966113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7X377MNnuGx
Name 3-(4-Chlorophenyl)-9-oxo-9H-thioxanthen-1-yltrifluoromethanesulfonate
Alternate Name(s) Trifluoromethanesulfonic acid [3-(4-chlorophenyl)-9-oxo-1-thioxanthenyl] ester [3-(4-chlorophenyl)-9-oxothioxanthen-1-yl] trifluoromethanesulfonate [3-(4-chlorophenyl)-9-oxo-thioxanthen-1-yl] trifluoromethanesulfonate [3-(4-chlorophenyl)-9-oxidanylidene-thioxanthen-1-yl] tris(fluoranyl)methanesulfonate
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Formula C20H10ClF3O4S2
InChI InChI=1S/C20H10ClF3O4S2/c21-13-7-5-11(6-8-13)12-9-15(28-30(26,27)20(22,23)24)18-17(10-12)29-16-4-2-1-3-14(16)19(18)25/h1-10H
InChIKey KELFKNPHNCWIOU-UHFFFAOYSA-N
Molecular Weight 470.864 g/mol
SMILES C(S(Oc1c2C(c3ccccc3Sc2cc(c1)-c1ccc(cc1)Cl)=O)(=O)=O)(F)(F)F
SPLASH splash10-00di-0034900000-dfc8afcaffebfb92594f
Source of Spectrum F-68-716-5f
Wiley ID 1707497