N-(3-acetamidophenyl)-2-methoxyacetamide

N-(3-acetamidophenyl)-2-methoxyacetamide bmse011207 - Data bmse012228 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H14N2O3

Natural Isotopic Abundance Mass: 222.2404599999999

Mono-Isotopic Molecular Masses:

  • C12N14: 222.100442318
  • C13N14: 233.13734553600005
  • C12N15: 224.09451210400002
  • C13N15: 235.13141532200007

InChI string: InChI=1S/C11H14N2O3/c1-8(14)12-9-4-3-5-10(6-9)13-11(15)7-16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15)

wwPDB CCD: GWA

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)