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9-Oxo-3-(3-(trifluoromethyl)phenyl)-9H-thioxanthen-1-yl trifluoromethanesulfonate
SpectraBase Compound ID 4jjeb6sEq9b
InChI InChI=1S/C21H10F6O4S2/c22-20(23,24)13-5-3-4-11(8-13)12-9-15(31-33(29,30)21(25,26)27)18-17(10-12)32-16-7-2-1-6-14(16)19(18)28/h1-10H
InChIKey YQNDUYDMSAVNDS-UHFFFAOYSA-N
Mol Weight 504.42 g/mol
Molecular Formula C21H10F6O4S2
Exact Mass 503.99247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KF03r2OnQi
Name 9-Oxo-3-(3-(trifluoromethyl)phenyl)-9H-thioxanthen-1-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H10F6O4S2
InChI InChI=1S/C21H10F6O4S2/c22-20(23,24)13-5-3-4-11(8-13)12-9-15(31-33(29,30)21(25,26)27)18-17(10-12)32-16-7-2-1-6-14(16)19(18)28/h1-10H
InChIKey YQNDUYDMSAVNDS-UHFFFAOYSA-N
Molecular Weight 504.417 g/mol
SMILES C(S(Oc1c2C(c3ccccc3Sc2cc(c1)-c1cc(C(F)(F)F)ccc1)=O)(=O)=O)(F)(F)F
SPLASH splash10-03di-0239040000-c2543389eb592a251039
Source of Spectrum F-68-717-5g
Wiley ID 1707496