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9-Oxo-1-(p-tolyl)-9H-thioxanthen-4-yl trifluoromethanesulfonate
SpectraBase Compound ID LLykZoM8aCd
InChI InChI=1S/C21H13F3O4S2/c1-12-6-8-13(9-7-12)14-10-11-16(28-30(26,27)21(22,23)24)20-18(14)19(25)15-4-2-3-5-17(15)29-20/h2-11H,1H3
InChIKey IUYUUYSHVHRBEX-UHFFFAOYSA-N
Mol Weight 450.45 g/mol
Molecular Formula C21H13F3O4S2
Exact Mass 450.020736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8d97cyyGh9r
Name 9-Oxo-1-(p-tolyl)-9H-thioxanthen-4-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13F3O4S2
InChI InChI=1S/C21H13F3O4S2/c1-12-6-8-13(9-7-12)14-10-11-16(28-30(26,27)21(22,23)24)20-18(14)19(25)15-4-2-3-5-17(15)29-20/h2-11H,1H3
InChIKey IUYUUYSHVHRBEX-UHFFFAOYSA-N
Molecular Weight 450.446 g/mol
SMILES C(S(Oc1c2c(C(=O)c3c(S2)cccc3)c(cc1)-c1ccc(cc1)C)(=O)=O)(F)(F)F
SPLASH splash10-0uxr-0009300000-7ed027baba0e05ec1d59
Source of Spectrum F-68-718-10c
Wiley ID 1707483