1-[4-(difluoromethoxy)phenyl]ethanone

1-[4-(difluoromethoxy)phenyl]ethanone bmse011529 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H8F2O2

Natural Isotopic Abundance Mass: 186.15542639999995

Mono-Isotopic Molecular Masses:

  • C12N14: 186.049235936
  • C13N14: 195.07942947800004
  • C12N15: 186.049235936
  • C13N15: 195.07942947800004

InChI string: InChI=1S/C9H8F2O2/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-5,9H,1H3

IUPAC: 1-[4-(difluoromethoxy)phenyl]ethanone

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)