N-[(4-fluorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

N-[(4-fluorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine bmse011743 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

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Graphical representations:

NMR

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Molecular Formula: C12H16FNO

Natural Isotopic Abundance Mass: 209.25994319999984

Mono-Isotopic Molecular Masses:

  • C12N14: 209.121592357
  • C13N14: 221.16185041300005
  • C12N15: 210.11862725
  • C13N15: 222.15888530600006

InChI string: InChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1

IUPAC: N-[(4-fluorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

wwPDB CCD: AXS

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)