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

N-(4-ethoxyphenyl)pyrazine-2-carboxamide bmse011007 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H13N3O2

Natural Isotopic Abundance Mass: 243.26121999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 243.100776671
  • C13N14: 256.1443895650001
  • C12N15: 246.09188135000002
  • C13N15: 259.1354942440002

InChI string: InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17)

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

wwPDB CCD: LDS

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)