1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea

1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea bmse011623 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H16N2O3

Natural Isotopic Abundance Mass: 224.25633999999988

Mono-Isotopic Molecular Masses:

  • C12N14: 224.116092382
  • C13N14: 235.15299560000005
  • C12N15: 226.11016216800002
  • C13N15: 237.14706538600007

InChI string: InChI=1S/C11H16N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H2,12,13,16)

wwPDB CCD: AYV

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)