N-(2-hydroxy-4-methylphenyl)propanamide

N-(2-hydroxy-4-methylphenyl)propanamide bmse011202 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H13NO2

Natural Isotopic Abundance Mass: 179.2157199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 179.094628661
  • C13N14: 189.12817704100004
  • C12N15: 180.091663554
  • C13N15: 190.12521193400005

InChI string: InChI=1S/C10H13NO2/c1-3-10(13)11-8-5-4-7(2)6-9(8)12/h4-6,12H,3H2,1-2H3,(H,11,13)

wwPDB CCD: GVV

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)