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2-(3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SpectraBase Compound ID 3koIa8A5MP6
InChI InChI=1S/C20H19BF6O2/c1-17(2)18(3,4)29-21(28-17)16-7-5-12(6-8-16)13-9-14(19(22,23)24)11-15(10-13)20(25,26)27/h5-11H,1-4H3
InChIKey NPHOOOOHYRCLEL-UHFFFAOYSA-N
Mol Weight 416.2 g/mol
Molecular Formula C20H19BF6O2
Exact Mass 416.138229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRvqC1AnMnp
Name 2-(3',5'-Bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Appearance White solid
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Exact Mass 416.138228998 u
Formula C20H19BF6O2
InChI InChI=1S/C20H19BF6O2/c1-17(2)18(3,4)29-21(28-17)16-7-5-12(6-8-16)13-9-14(19(22,23)24)11-15(10-13)20(25,26)27/h5-11H,1-4H3
InChIKey NPHOOOOHYRCLEL-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604504
Molecular Weight 416.170 g/mol
Quality 43
Reported Formula C20H19O2BF6
SMILES C1(C(OB(O1)C1=CC=C(C=C1)C1=CC(C(F)(F)F)=CC(=C1)C(F)(F)F)(C)C)(C)C
SPLASH splash10-000i-9330100000-05cb702f8af35bd6f8e3
Source of Spectrum QE-22-SM20-3i (DOI: 10.1002/chem.201604504)
Thin-Layer Chromatography 0.40 (Hexane/EA, 20:1)
Wiley ID 1905348