2-(4-fluorophenoxy)-1-pyrrolidin-1-ylethanone

2-(4-fluorophenoxy)-1-pyrrolidin-1-ylethanone bmse011076 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H14FNO2

Natural Isotopic Abundance Mass: 223.24346319999987

Mono-Isotopic Molecular Masses:

  • C12N14: 223.100856913
  • C13N14: 235.14111496900006
  • C12N15: 224.097891806
  • C13N15: 236.13814986200006

InChI string: InChI=1S/C12H14FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2

IUPAC: 2-(4-fluorophenoxy)-1-pyrrolidin-1-ylethanone

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)