7,8-dimethoxy-2H-phthalazin-1-one

7,8-dimethoxy-2H-phthalazin-1-one bmse011050 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H10N2O3

Natural Isotopic Abundance Mass: 206.19799999999992

Mono-Isotopic Molecular Masses:

  • C12N14: 206.06914219
  • C13N14: 216.10269057000005
  • C12N15: 208.06321197600002
  • C13N15: 218.09676035600006

InChI string: InChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13)

wwPDB CCD: K3V

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)