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1-(4-Ethylphenyl)-9-oxo-9H-thioxanthen-4-yltrifluoromethanesulfonate
SpectraBase Compound ID AhdBQ5Oz1Os
InChI InChI=1S/C22H15F3O4S2/c1-2-13-7-9-14(10-8-13)15-11-12-17(29-31(27,28)22(23,24)25)21-19(15)20(26)16-5-3-4-6-18(16)30-21/h3-12H,2H2,1H3
InChIKey CBSDXXJEDNUZNT-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 4crKFuTP03B
Name 1-(4-Ethylphenyl)-9-oxo-9H-thioxanthen-4-yltrifluoromethanesulfonate
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Formula C22H15F3O4S2
InChI InChI=1S/C22H15F3O4S2/c1-2-13-7-9-14(10-8-13)15-11-12-17(29-31(27,28)22(23,24)25)21-19(15)20(26)16-5-3-4-6-18(16)30-21/h3-12H,2H2,1H3
InChIKey CBSDXXJEDNUZNT-UHFFFAOYSA-N
Molecular Weight 464.473 g/mol
SMILES C(S(Oc1c2c(C(=O)c3c(S2)cccc3)c(cc1)-c1ccc(cc1)CC)(=O)=O)(F)(F)F
SPLASH splash10-0f89-0019100000-5a25df26a1a97fcabb37
Source of Spectrum F-68-718-10a
Wiley ID 1707485