Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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5-Methylfuran-2-carbaldehyde synonyms



Graphical representations:


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Molecular Formula: C6H6O2

Natural Isotopic Abundance Mass: 110.11064

Mono-Isotopic Molecular Masses:

  • C12N14: 110.036779432
  • C13N14: 116.05690846
  • C12N15: 110.036779432
  • C13N15: 116.05690846

InChI string: InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3

MMCD: cq_07777
PubChem Compound (CID): 12097

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,