BMRB

Biological Magnetic Resonance Data Bank


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

N-(4-fluorophenyl)propanamide

N-(4-fluorophenyl)propanamide bmse011812 - Data

N-(4-fluorophenyl)propanamide synonyms

Wikipedia:

Graphical representations:

N-(4-fluorophenyl)propanamide

View large 3D structure

Molecular Formula: C9H10FNO

Natural Isotopic Abundance Mass: 167.1802032

Mono-Isotopic Molecular Masses:

  • C12N14: 167.074642165
  • C13N14: 176.10483570700003
  • C12N15: 168.071677058
  • C13N15: 177.10187060000004

InChI string: InChI=1S/C9H10FNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)

IUPAC: b'N-(4-fluorophenyl)propanamide'

EU-OPENSCREEN: EOS102512

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)