1-(cyclopropylmethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea

1-(cyclopropylmethyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea bmse011634 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H16N2O2

Natural Isotopic Abundance Mass: 232.27833999999984

Mono-Isotopic Molecular Masses:

  • C12N14: 232.121177762
  • C13N14: 245.16479065600006
  • C12N15: 234.115247548
  • C13N15: 247.15886044200008

InChI string: InChI=1S/C13H16N2O2/c16-13(14-8-9-1-2-9)15-11-3-4-12-10(7-11)5-6-17-12/h3-4,7,9H,1-2,5-6,8H2,(H2,14,15,16)

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)