Biological Magnetic Resonance Data Bank

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

Ethyl Furan-3-carboxylate

NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


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Molecular Formula: C7H8O3

Natural Isotopic Abundance Mass: 140.1366199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 140.047344116
  • C13N14: 147.07082798200003
  • C12N15: 140.047344116
  • C13N15: 147.07082798200003

InChI string: InChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3

IUPAC: ethyl furan-3-carboxylate

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,