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-(2-fluoroethoxy)aniline

3-(2-fluoroethoxy)aniline bmse012487 - Data

3-(2-fluoroethoxy)aniline synonyms

Wikipedia:

Graphical representations:

3-(2-fluoroethoxy)aniline

View large 3D structure

Molecular Formula: C8H10FNO

Natural Isotopic Abundance Mass: 155.1695032

Mono-Isotopic Molecular Masses:

  • C12N14: 155.074642165
  • C13N14: 163.10148086900003
  • C12N15: 156.071677058
  • C13N15: 164.09851576200003

InChI string: InChI=1S/C8H10FNO/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5,10H2

EU-OPENSCREEN: EOS103254

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)