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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 CcCCo5XdJ3E
Name 2'-Methyl-[1,1'-biphenyl]-4-yl trifluoromethanesulfonate
Appearance Colorless oil
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Exact Mass 316.038099874 u
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.201609635
Molecular Weight 316.294 g/mol
Quality 167
SMILES C1(=CC=C(C=C1)OS(C(F)(F)F)(=O)=O)C1=C(C=CC=C1)C
SPLASH splash10-00lr-0904000000-52c7fa1a6b3617a8a63d
Source of Spectrum ACI-56-SM17-17-1 (DOI: 10.1002/anie.201609635)
Thin-Layer Chromatography 0.13 (Hexane)
Wiley ID 1892867