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1,3,2-Benzodioxaborole, 2-[3,5-bis(trifluoromethyl)phenyl]hexahydro-, cis-
SpectraBase Compound ID EXwIyuRusdB
InChI InChI=1S/C14H13BF6O2/c16-13(17,18)8-5-9(14(19,20)21)7-10(6-8)15-22-11-3-1-2-4-12(11)23-15/h5-7,11-12H,1-4H2/t11-,12+
InChIKey WODFPPOEJOBOGK-TXEJJXNPSA-N
Mol Weight 338.1 g/mol
Molecular Formula C14H13BF6O2
Exact Mass 338.091279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UOk9EiINq2
Name 1,3,2-Benzodioxaborole, 2-[3,5-bis(trifluoromethyl)phenyl]hexahydro-, cis-
Alternate Name(s) (3aR,7aS)-2-[3,5-bis(trifluoromethyl)phenyl]hexahydro-1,3,2-benzodioxaborole 3,5-bis(trifluoromethyl) benzeneboronate of cis-1,2-cyclohexanediol
CAS Registry Number 73852-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13BF6O2
InChI InChI=1S/C14H13BF6O2/c16-13(17,18)8-5-9(14(19,20)21)7-10(6-8)15-22-11-3-1-2-4-12(11)23-15/h5-7,11-12H,1-4H2/t11-,12+
InChIKey WODFPPOEJOBOGK-TXEJJXNPSA-N
Molecular Weight 338.056 g/mol
SMILES [C@]12(OB(O[C@@]1(CCCC2)[H])c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[H]
SPLASH splash10-000f-0094000000-ed8b8c1f24dc7abc4782
Source of Spectrum O-15-506-1
Wiley ID 1333423