BMRB

Biological Magnetic Resonance Data Bank


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

2-bromo-N-ethylbenzamide

2-bromo-N-ethylbenzamide bmse012182 - Data

2-bromo-N-ethylbenzamide synonyms

Wikipedia:

Graphical representations:

2-bromo-N-ethylbenzamide

View large 3D structure

Molecular Formula: C9H10BrNO

Natural Isotopic Abundance Mass: 228.08579999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 226.99457594499998
  • C13N14: 236.02476948700004
  • C12N15: 227.99161083799999
  • C13N15: 237.02180438000005

InChI string: InChI=1S/C9H10BrNO/c1-2-11-9(12)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3,(H,11,12)

EU-OPENSCREEN: EOS102912

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)