BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

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

6-hydroxy-1,3,4,5-tetrahydro-1-benzazepin-2-one bmse011847 - Data

6-hydroxy-1,3,4,5-tetrahydro-1-benzazepin-2-one synonyms

Wikipedia:

Graphical representations:

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

View large 3D structure

Molecular Formula: C10H11NO2

Natural Isotopic Abundance Mass: 177.19984

Mono-Isotopic Molecular Masses:

  • C12N14: 177.078978597
  • C13N14: 187.11252697700004
  • C12N15: 178.07601349
  • C13N15: 188.10956187000005

InChI string: InChI=1S/C10H11NO2/c12-9-5-2-4-8-7(9)3-1-6-10(13)11-8/h2,4-5,12H,1,3,6H2,(H,11,13)

EU-OPENSCREEN: EOS102548

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)