BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

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Molecular Formula: C13H12FNO2

Natural Isotopic Abundance Mass: 233.23828319999987

Mono-Isotopic Molecular Masses:

  • C12N14: 233.085206849
  • C13N14: 246.12881974300007
  • C12N15: 234.082241742
  • C13N15: 247.12585463600007

InChI string: InChI=1S/C13H12FNO2/c14-11-5-3-10(4-6-11)7-8-15-13(16)12-2-1-9-17-12/h1-6,9H,7-8H2,(H,15,16)

IUPAC: N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide

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)