NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C9H13N3O2

Natural Isotopic Abundance Mass: 195.2184199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 195.100776671
  • C13N14: 204.13097021300004
  • C12N15: 198.09188135000002
  • C13N15: 207.12207489200006

InChI string: InChI=1S/C9H13N3O2/c13-8-7(6-10-9(14)11-8)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13,14)

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)