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3-(4-(tert-butyl)phenyl)-9-oxo-9H-thioxanthen-1-yl trifluoromethanesulfonate
SpectraBase Compound ID 9M3Hayzt8k5
InChI InChI=1S/C24H19F3O4S2/c1-23(2,3)16-10-8-14(9-11-16)15-12-18(31-33(29,30)24(25,26)27)21-20(13-15)32-19-7-5-4-6-17(19)22(21)28/h4-13H,1-3H3
InChIKey KQGUIRCJQGTCGR-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 59e385OKBKx
Name 3-(4-(tert-butyl)phenyl)-9-oxo-9H-thioxanthen-1-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19F3O4S2
InChI InChI=1S/C24H19F3O4S2/c1-23(2,3)16-10-8-14(9-11-16)15-12-18(31-33(29,30)24(25,26)27)21-20(13-15)32-19-7-5-4-6-17(19)22(21)28/h4-13H,1-3H3
InChIKey KQGUIRCJQGTCGR-UHFFFAOYSA-N
Molecular Weight 492.527 g/mol
SMILES C(S(Oc1c2C(c3ccccc3Sc2cc(c1)-c1ccc(C(C)(C)C)cc1)=O)(=O)=O)(F)(F)F
SPLASH splash10-004l-0001900000-e1b93fb827b81fb8aef5
Source of Spectrum F-68-716-5c
Wiley ID 1707500