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Potassium 4-methyl-1-[4-(trifluoromethyl)phenyl]-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octane
SpectraBase Compound ID 6tTOYENvU0k
InChI InChI=1S/C12H13BF3O3.K/c1-11-6-17-13(18-7-11,19-8-11)10-4-2-9(3-5-10)12(14,15)16;/h2-5H,6-8H2,1H3;/q-1;+1
InChIKey FOPYOMRWVNKVQK-UHFFFAOYSA-N
Mol Weight 312.1 g/mol
Molecular Formula C12H13BF3KO3
Exact Mass 312.05469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5feS8uBCdnj
Name Potassium 4-methyl-1-[4-(trifluoromethyl)phenyl]-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octane
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Formula C12H13BF3KO3
InChI InChI=1S/C12H13BF3O3.K/c1-11-6-17-13(18-7-11,19-8-11)10-4-2-9(3-5-10)12(14,15)16;/h2-5H,6-8H2,1H3;/q-1;+1
InChIKey FOPYOMRWVNKVQK-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 312.137 g/mol
Reported Formula C12H13BF3O3
SMILES [K+].c1cc(ccc1[B-]12OCC(CO2)(CO1)C)C(F)(F)F
SPLASH splash10-0002-0930000000-0b0fc653a1c6bdb912e1
Source of Spectrum WO2013080583A1
Wiley ID 1847952