Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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(2S)-2-(2-fluorophenoxy)propanoic Acid

NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


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Molecular Formula: C9H9FO3

Natural Isotopic Abundance Mass: 184.16436319999994

Mono-Isotopic Molecular Masses:

  • C12N14: 184.053572368
  • C13N14: 193.08376591000004
  • C12N15: 184.053572368
  • C13N15: 193.08376591000004

InChI string: InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1

IUPAC: (2S)-2-(2-fluorophenoxy)propanoic acid

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,