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4-(4-Methyl-2-(((trifluoromethyl)sulfonyl)oxy)phenoxy)-[1,1'-biphenyl]-3-yl Trifluoromethanesulfonate
SpectraBase Compound ID KGJIFvKGVhD
InChI InChI=1S/C21H14F6O7S2/c1-13-7-9-16(18(11-13)33-35(28,29)20(22,23)24)32-17-10-8-15(14-5-3-2-4-6-14)12-19(17)34-36(30,31)21(25,26)27/h2-12H,1H3
InChIKey TVWZSQOBHBIRKJ-UHFFFAOYSA-N
Mol Weight 556.45 g/mol
Molecular Formula C21H14F6O7S2
Exact Mass 556.008514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bU88kxx0pH
Name 4-(4-Methyl-2-(((trifluoromethyl)sulfonyl)oxy)phenoxy)-[1,1'-biphenyl]-3-yl Trifluoromethanesulfonate
Appearance Colorless oil
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Exact Mass 556.008514110 u
Formula C21H14F6O7S2
InChI InChI=1S/C21H14F6O7S2/c1-13-7-9-16(18(11-13)33-35(28,29)20(22,23)24)32-17-10-8-15(14-5-3-2-4-6-14)12-19(17)34-36(30,31)21(25,26)27/h2-12H,1H3
InChIKey TVWZSQOBHBIRKJ-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612535
Molecular Weight 556.446 g/mol
Quality 78
Reported Formula C21H14F6O7S2
SMILES C1=C(C(=CC=C1C)OC1=C(C=C(C=C1)C1=CC=CC=C1)OS(C(F)(F)F)(=O)=O)OS(C(F)(F)F)(=O)=O
SPLASH splash10-05fu-0090030000-b26cf6a0436e7d985a40
Source of Spectrum ACI-56-SM6-3h (DOI: 10.1002/anie.201612535)
Thin-Layer Chromatography 0.37 (Hexane/EtOAc, 10:1)
Wiley ID 1892875