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acetonitrile; tris(2,3,4,5,6-pentafluorophenyl)borane
SpectraBase Compound ID tG3TCYsMDs
InChI InChI=1S/C18BF15.C2H3N/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25;1-2-3/h;1H3
InChIKey KFARHSNDRXUIPV-UHFFFAOYSA-N
Mol Weight 553.037 g/mol
Molecular Formula C20H3BF15N
Exact Mass 553.011902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LCXO0pyli8
Name acetonitrile; tris(2,3,4,5,6-pentafluorophenyl)borane
Appearance Large colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H3BF15N
InChI InChI=1S/C18BF15.C2H3N/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25;1-2-3/h;1H3
InChIKey KFARHSNDRXUIPV-UHFFFAOYSA-N
Instrument Name Thermoscientific ISQ
Ionization Type EI
Literature Reference DOI 10.1002/zaac.202000030
Molecular Weight 553.037 g/mol
SMILES c1(c(c(c(c(c1F)F)F)B(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)F)F.C(C)#N
SPLASH splash10-004i-2901000000-caf7213e754e8ea2918f
Source of Spectrum DZ-646-878-1
Wiley ID 1856350