BMRB

Biological Magnetic Resonance Data Bank


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

3-fluoro-N-methylbenzamide

3-fluoro-N-methylbenzamide bmse012430 - Data

3-fluoro-N-methylbenzamide synonyms

Wikipedia:

Graphical representations:

3-fluoro-N-methylbenzamide

View large 3D structure

Molecular Formula: C8H8FNO

Natural Isotopic Abundance Mass: 153.1536232

Mono-Isotopic Molecular Masses:

  • C12N14: 153.058992101
  • C13N14: 161.08583080500003
  • C12N15: 154.056026994
  • C13N15: 162.08286569800003

InChI string: InChI=1S/C8H8FNO/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11)

EU-OPENSCREEN: EOS103185

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)