3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one

3,3,3-trifluoro-1-(4-methylpiperidin-1-yl)propan-1-one bmse011503 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

View large 3D structure

Molecular Formula: C9H14F3NO

Natural Isotopic Abundance Mass: 209.20876959999987

Mono-Isotopic Molecular Masses:

  • C12N14: 209.102748733
  • C13N14: 218.13294227500003
  • C12N15: 210.099783626
  • C13N15: 219.12997716800004

InChI string: InChI=1S/C9H14F3NO/c1-7-2-4-13(5-3-7)8(14)6-9(10,11)12/h7H,2-6H2,1H3

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)