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3-(3,5-dimethylphenyl)-9-oxo-9H-thioxanthen-1-yl trifluoromethanesulfonate
SpectraBase Compound ID JRroIryyRcO
InChI InChI=1S/C22H15F3O4S2/c1-12-7-13(2)9-14(8-12)15-10-17(29-31(27,28)22(23,24)25)20-19(11-15)30-18-6-4-3-5-16(18)21(20)26/h3-11H,1-2H3
InChIKey AHPZFAOGHLTYQL-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 3zPogPJ9ERm
Name 3-(3,5-dimethylphenyl)-9-oxo-9H-thioxanthen-1-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15F3O4S2
InChI InChI=1S/C22H15F3O4S2/c1-12-7-13(2)9-14(8-12)15-10-17(29-31(27,28)22(23,24)25)20-19(11-15)30-18-6-4-3-5-16(18)21(20)26/h3-11H,1-2H3
InChIKey AHPZFAOGHLTYQL-UHFFFAOYSA-N
Molecular Weight 464.473 g/mol
SMILES C(S(Oc1c2C(c3ccccc3Sc2cc(c1)-c1cc(C)cc(c1)C)=O)(=O)=O)(F)(F)F
SPLASH splash10-03di-0012900000-412a96035a19ae73938b
Source of Spectrum F-68-716-5d
Wiley ID 1707499