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2'-Methyl-[1,1'-biphenyl]-4-yl trifluoromethanesulfonate
SpectraBase Compound ID Juh50bmz1o7
InChI InChI=1S/C14H11F3O3S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)20-21(18,19)14(15,16)17/h2-9H,1H3
InChIKey DGDXJCZNOJKVMD-UHFFFAOYSA-N
Mol Weight 316.29 g/mol
Molecular Formula C14H11F3O3S
Exact Mass 316.0381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfXpTjzPlaH
Name 2'-Methyl-[1,1'-biphenyl]-4-yl trifluoromethanesulfonate
Appearance Colorless oil
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Formula C14H11F3O3S
InChI InChI=1S/C14H11F3O3S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)20-21(18,19)14(15,16)17/h2-9H,1H3
InChIKey DGDXJCZNOJKVMD-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.202002526
Molecular Weight 316.294 g/mol
SMILES c1cc(ccc1-c1ccccc1C)OS(C(F)(F)F)(=O)=O
SPLASH splash10-00lr-0903000000-2611a2b340736b67ed26
Source of Spectrum ACI-59-SM19-19-1
Thin-Layer Chromatography Rf = 0.13 (Hexane)
Wiley ID 1857892