BMRB

Biological Magnetic Resonance Data Bank


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

5-bromo-1,3-dihydroindol-2-one

5-bromo-1,3-dihydroindol-2-one bmse011978 - Data

5-bromo-1,3-dihydroindol-2-one synonyms

Wikipedia:

Graphical representations:

5-bromo-1,3-dihydroindol-2-one

View large 3D structure

Molecular Formula: C8H6BrNO

Natural Isotopic Abundance Mass: 212.04333999999997

Mono-Isotopic Molecular Masses:

  • C12N14: 210.96327581699998
  • C13N14: 218.99011452100004
  • C12N15: 211.96031071
  • C13N15: 219.98714941400004

InChI string: InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)

IUPAC: b'5-bromo-1,3-dihydroindol-2-one'

EU-OPENSCREEN: EOS102692

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)