Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


NMR Quality Control Of Fragment Libraries For Screening synonyms


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Molecular Formula: C9H12N2O2

Natural Isotopic Abundance Mass: 180.2037799999999

Mono-Isotopic Molecular Masses:

  • C12N14: 180.089877634
  • C13N14: 189.12007117600004
  • C12N15: 182.08394742000002
  • C13N15: 191.11414096200005

InChI string: InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)

IUPAC: 2-amino-N-(4-methoxyphenyl)acetamide

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,