2-(4-ethylphenoxy)-1-piperidin-1-ylethanone

2-(4-ethylphenoxy)-1-piperidin-1-ylethanone bmse011652 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C15H21NO2

Natural Isotopic Abundance Mass: 247.33273999999977

Mono-Isotopic Molecular Masses:

  • C12N14: 247.157228917
  • C13N14: 262.2075514870003
  • C12N15: 248.15426381
  • C13N15: 263.2045863800003

InChI string: InChI=1S/C15H21NO2/c1-2-13-6-8-14(9-7-13)18-12-15(17)16-10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3

IUPAC: 2-(4-ethylphenoxy)-1-piperidin-1-ylethanone

wwPDB CCD: A9E

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)