Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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propanedioic acid, ethyl-; alpha-Carboxybutyric acid; Ethylmalonic acid; 1,1-Propanedicarboxylic acid; Malonic acid, ethyl-; Propanedioic acid, ethyl-
Molecular Formula: C5H8O4
Natural Isotopic Abundance Mass: 132.11462
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
PubChem Compound (CID): 11756Reference 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)