2-(2-dimethylaminoethyl)isoindole-1,3-dione

2-(2-dimethylaminoethyl)isoindole-1,3-dione bmse011378 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C12H14N2O2

Natural Isotopic Abundance Mass: 218.25175999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 218.105527698
  • C13N14: 230.14578575400006
  • C12N15: 220.09959748400001
  • C13N15: 232.13985554000007

InChI string: InChI=1S/C12H14N2O2/c1-13(2)7-8-14-11(15)9-5-3-4-6-10(9)12(14)16/h3-6H,7-8H2,1-2H3

IUPAC: 2-(2-dimethylaminoethyl)isoindole-1,3-dione

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)