2-(2-methylphenyl)acetamide

2-(2-methylphenyl)acetamide bmse011277 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H11NO

Natural Isotopic Abundance Mass: 149.1897399999999

Mono-Isotopic Molecular Masses:

  • C12N14: 149.084063977
  • C13N14: 158.11425751900003
  • C12N15: 150.08109887
  • C13N15: 159.11129241200004

InChI string: InChI=1S/C9H11NO/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)

wwPDB CCD: R9S

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)