6-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

6-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one bmse011409 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H13NO2

Natural Isotopic Abundance Mass: 191.2264199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 191.094628661
  • C13N14: 202.13153187900005
  • C12N15: 192.091663554
  • C13N15: 203.12856677200006

InChI string: InChI=1S/C11H13NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3,5-6H,2,4,7H2,1H3,(H,12,13)

wwPDB CCD: UV1

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)