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4H-Cyclopenta-1,3,2-dioxaborole, 2-[3,5-bis(trifluoromethyl)phenyl]tetrahydro-, cis-
SpectraBase Compound ID 7SYxfmzevKP
InChI InChI=1S/C13H11BF6O2/c15-12(16,17)7-4-8(13(18,19)20)6-9(5-7)14-21-10-2-1-3-11(10)22-14/h4-6,10-11H,1-3H2/t10-,11+
InChIKey NPVGOPDKPCHUNC-PHIMTYICSA-N
Mol Weight 324.0 g/mol
Molecular Formula C13H11BF6O2
Exact Mass 324.075629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFcJ8I0aGGz
Name 4H-Cyclopenta-1,3,2-dioxaborole, 2-[3,5-bis(trifluoromethyl)phenyl]tetrahydro-, cis-
CAS Registry Number 77509-42-3
Comments Less than 3 mono-isotopic peaks
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Formula C13H11BF6O2
InChI InChI=1S/C13H11BF6O2/c15-12(16,17)7-4-8(13(18,19)20)6-9(5-7)14-21-10-2-1-3-11(10)22-14/h4-6,10-11H,1-3H2/t10-,11+
InChIKey NPVGOPDKPCHUNC-PHIMTYICSA-N
Molecular Weight 324.029 g/mol
SMILES [C@]12(OB(O[C@@]1(CCC2)[H])c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[H]
SPLASH splash10-006x-0097000000-de2f516f4ac5e0b7a9a4
Source of Spectrum O-15-506-1
Synonyms (3aR,6aS)-2-[3,5-bis(trifluoromethyl)phenyl]tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole 3,5-bis(trifluoromethyl) benzeneboronate of cis-1,2-cyclopentanediol
Wiley ID 1322847