(4-phenylphenyl)urea

(4-phenylphenyl)urea bmse011251 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H12N2O

Natural Isotopic Abundance Mass: 212.24717999999987

Mono-Isotopic Molecular Masses:

  • C12N14: 212.094963014
  • C13N14: 225.13857590800006
  • C12N15: 214.0890328
  • C13N15: 227.13264569400008

InChI string: InChI=1S/C13H12N2O/c14-13(16)15-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H3,14,15,16)

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)