(4-methoxyphenyl)-piperidin-4-ylmethanone

(4-methoxyphenyl)-piperidin-4-ylmethanone bmse011018 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H17NO2

Natural Isotopic Abundance Mass: 219.27957999999984

Mono-Isotopic Molecular Masses:

  • C12N14: 219.125928789
  • C13N14: 232.16954168300006
  • C12N15: 220.122963682
  • C13N15: 233.16657657600007

InChI string: InChI=1S/C13H17NO2/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11/h2-5,11,14H,6-9H2,1H3

IUPAC: (4-methoxyphenyl)-piperidin-4-ylmethanone

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)