N-(4-ethylphenyl)pyrazine-2-carboxamide

N-(4-ethylphenyl)pyrazine-2-carboxamide bmse011004 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H13N3O

Natural Isotopic Abundance Mass: 227.26181999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 227.105862051
  • C13N14: 240.14947494500007
  • C12N15: 230.09696673000002
  • C13N15: 243.14057962400008

InChI string: InChI=1S/C13H13N3O/c1-2-10-3-5-11(6-4-10)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)

IUPAC: N-(4-ethylphenyl)pyrazine-2-carboxamide

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)