Biological Magnetic Resonance Data Bank

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

Diethyl Oxalacetate

Graphical representations:


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Molecular Formula: C8H12O5

Natural Isotopic Abundance Mass: 188.1778800000

Mono-Isotopic Molecular Masses:

  • C12N14: 188.068473496
  • C13N14: 196.095312198
  • C12N15: 188.068473496
  • C13N15: 196.095312198

InChI string: InChI=1S/C8H12O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h3-5H2,1-2H3

IUPAC: diethyl 2-oxobutanedioate

PubChem Compound (CID): 66951
CAS Registry number: 108-56-5
EINECS: 203-594-1
NSC: 68476

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,