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4-Oxo-4-phenylbut-2-en-2-yl borodifluoridate
SpectraBase Compound ID KD59hRh2E7T
InChI InChI=1S/C10H9BF2O2/c1-8(15-11(12)13)7-10(14)9-5-3-2-4-6-9/h2-7H,1H3/b8-7-
InChIKey RZCCAZYNYSFELP-FPLPWBNLSA-N
Mol Weight 210.0 g/mol
Molecular Formula C10H9BF2O2
Exact Mass 210.066366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDNo7w6tAVs
Name 4-oxo-4-Phenylbut-2-en-2-yl borodifluoridate
Comments Computed using HOSE algorithm
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Exact Mass 210.066366024 u
Formula C10H9BF2O2
InChI InChI=1S/C10H9BF2O2/c1-8(15-11(12)13)7-10(14)9-5-3-2-4-6-9/h2-7H,1H3/b8-7-
InChIKey RZCCAZYNYSFELP-FPLPWBNLSA-N
Molecular Weight 209.987 g/mol
SMILES C\C(OB(F)F)=C\C(=O)C1=CC=CC=C1