BMRB

Biological Magnetic Resonance Data Bank


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

EU-OPENSCREEN Compound 103019

EU-OPENSCREEN Compound 103019 bmse012278 - Data

EU-OPENSCREEN Compound 103019 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C11H13FN2O2

Natural Isotopic Abundance Mass: 224.23152319999997

Mono-Isotopic Molecular Masses:

  • C12N14: 224.096105886
  • C13N14: 235.13300910400005
  • C12N15: 226.09017567200002
  • C13N15: 237.12707889000006

InChI string: InChI=1S/C11H13FN2O2/c12-8-4-1-3-7-9(14-11(13)15)5-2-6-16-10(7)8/h1,3-4,9H,2,5-6H2,(H3,13,14,15)/t9-/m1/s1

EU-OPENSCREEN: EOS103019

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)