2-cyano-N-cyclohexylacetamide

2-cyano-N-cyclohexylacetamide bmse011382 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H14N2O

Natural Isotopic Abundance Mass: 166.22025999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 166.110613078
  • C13N14: 175.14080662000003
  • C12N15: 168.104682864
  • C13N15: 177.13487640600005

InChI string: InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)

wwPDB CCD: GT7

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)