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[4-[3-(Trifluoromethyl)phenyl]phenyl]trifluoromethanesulfonate
SpectraBase Compound ID DxX7RLbIomt
InChI InChI=1S/C14H8F6O3S/c15-13(16,17)11-3-1-2-10(8-11)9-4-6-12(7-5-9)23-24(21,22)14(18,19)20/h1-8H
InChIKey AJSGBUVJIWQKRL-UHFFFAOYSA-N
Mol Weight 370.27 g/mol
Molecular Formula C14H8F6O3S
Exact Mass 370.009834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KG1bLaBpOBj
Name [4-[3-(Trifluoromethyl)phenyl]phenyl]trifluoromethanesulfonate
Appearance White solid
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Formula C14H8F6O3S
InChI InChI=1S/C14H8F6O3S/c15-13(16,17)11-3-1-2-10(8-11)9-4-6-12(7-5-9)23-24(21,22)14(18,19)20/h1-8H
InChIKey AJSGBUVJIWQKRL-UHFFFAOYSA-N
Instrument Name GC-MS Agilent 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200321
Molecular Weight 370.265 g/mol
Reported Formula C14H8F6O3S
SMILES c1c(ccc(c1)OS(C(F)(F)F)(=O)=O)-c1cc(ccc1)C(F)(F)F
SPLASH splash10-00dr-0092000000-d922fd91eee0853bd90a
Source of Spectrum ASC-364-SM24-3bl
Wiley ID 1872971