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3-(4-fluorophenyl)-9-oxo-9H-thioxanthen-1-yltrifluoromethanesulfonate
SpectraBase Compound ID 4wvHw7DYRlU
InChI InChI=1S/C20H10F4O4S2/c21-13-7-5-11(6-8-13)12-9-15(28-30(26,27)20(22,23)24)18-17(10-12)29-16-4-2-1-3-14(16)19(18)25/h1-10H
InChIKey RIUXFIRGISIIRH-UHFFFAOYSA-N
Mol Weight 454.41 g/mol
Molecular Formula C20H10F4O4S2
Exact Mass 453.995664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkMXYvatQkv
Name 3-(4-fluorophenyl)-9-oxo-9H-thioxanthen-1-yltrifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10F4O4S2
InChI InChI=1S/C20H10F4O4S2/c21-13-7-5-11(6-8-13)12-9-15(28-30(26,27)20(22,23)24)18-17(10-12)29-16-4-2-1-3-14(16)19(18)25/h1-10H
InChIKey RIUXFIRGISIIRH-UHFFFAOYSA-N
Molecular Weight 454.410 g/mol
SMILES C(S(Oc1c2C(c3ccccc3Sc2cc(c1)-c1ccc(cc1)F)=O)(=O)=O)(F)(F)F
SPLASH splash10-0uxu-0080900000-3553225e04877a9dc7f7
Source of Spectrum F-68-717-5h
Wiley ID 1715062