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3-(4-Ethylphenyl)-9-oxo-9H-thioxanthen-1-yltrifluoromethanesulfonate
SpectraBase Compound ID GNr67rNMvey
InChI InChI=1S/C22H15F3O4S2/c1-2-13-7-9-14(10-8-13)15-11-17(29-31(27,28)22(23,24)25)20-19(12-15)30-18-6-4-3-5-16(18)21(20)26/h3-12H,2H2,1H3
InChIKey PMFKSDZZTYRKSO-UHFFFAOYSA-N
Mol Weight 464.47 g/mol
Molecular Formula C22H15F3O4S2
Exact Mass 464.036386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BO7vGODYjkj
Name 3-(4-Ethylphenyl)-9-oxo-9H-thioxanthen-1-yltrifluoromethanesulfonate
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Formula C22H15F3O4S2
InChI InChI=1S/C22H15F3O4S2/c1-2-13-7-9-14(10-8-13)15-11-17(29-31(27,28)22(23,24)25)20-19(12-15)30-18-6-4-3-5-16(18)21(20)26/h3-12H,2H2,1H3
InChIKey PMFKSDZZTYRKSO-UHFFFAOYSA-N
Molecular Weight 464.473 g/mol
SMILES C(S(Oc1c2C(c3ccccc3Sc2cc(c1)-c1ccc(cc1)CC)=O)(=O)=O)(F)(F)F
SPLASH splash10-03di-0023900000-163732b7a7ed1281bb33
Source of Spectrum F-68-716-5b
Wiley ID 1707501