1-(2,2-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one

1-(2,2-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one bmse011234 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H14F3NO2

Natural Isotopic Abundance Mass: 225.20816959999988

Mono-Isotopic Molecular Masses:

  • C12N14: 225.097663353
  • C13N14: 234.12785689500004
  • C12N15: 226.094698246
  • C13N15: 235.12489178800004

InChI string: InChI=1S/C9H14F3NO2/c1-8(2)6-13(3-4-15-8)7(14)5-9(10,11)12/h3-6H2,1-2H3

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)