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1-(4-(tert-butyl)phenyl)-9-oxo-9H-thioxanthen-4-yl trifluoromethanesulfonate
SpectraBase Compound ID 1MaG3o1BA06
InChI InChI=1S/C24H19F3O4S2/c1-23(2,3)15-10-8-14(9-11-15)16-12-13-18(31-33(29,30)24(25,26)27)22-20(16)21(28)17-6-4-5-7-19(17)32-22/h4-13H,1-3H3
InChIKey ALCWCACXYKEEBV-UHFFFAOYSA-N
Mol Weight 492.53 g/mol
Molecular Formula C24H19F3O4S2
Exact Mass 492.067686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHN6ikSPLwo
Name 1-(4-(tert-butyl)phenyl)-9-oxo-9H-thioxanthen-4-yl trifluoromethanesulfonate
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Formula C24H19F3O4S2
InChI InChI=1S/C24H19F3O4S2/c1-23(2,3)15-10-8-14(9-11-15)16-12-13-18(31-33(29,30)24(25,26)27)22-20(16)21(28)17-6-4-5-7-19(17)32-22/h4-13H,1-3H3
InChIKey ALCWCACXYKEEBV-UHFFFAOYSA-N
Molecular Weight 492.527 g/mol
SMILES C(S(Oc1c2c(C(=O)c3c(S2)cccc3)c(cc1)-c1ccc(C(C)(C)C)cc1)(=O)=O)(F)(F)F
SPLASH splash10-0udi-0009200000-c9a9e5c4d44a989c4353
Source of Spectrum F-68-718-10b
Wiley ID 1707484