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-fluorophenyl)cyclobutan-1-amine

3-(2-fluorophenyl)cyclobutan-1-amine bmse012268 - Data

3-(2-fluorophenyl)cyclobutan-1-amine synonyms

Wikipedia:

Graphical representations:

3-(2-fluorophenyl)cyclobutan-1-amine

View large 3D structure

Molecular Formula: C10H12FN

Natural Isotopic Abundance Mass: 165.20738319999998

Mono-Isotopic Molecular Masses:

  • C12N14: 165.095377609
  • C13N14: 175.12892598900004
  • C12N15: 166.092412502
  • C13N15: 176.12596088200004

InChI string: InChI=1S/C10H12FN/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8H,5-6,12H2/t7-,8+

EU-OPENSCREEN: EOS103008

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)