Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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1-Butanecarboxylic acid; n-Pentanoic acid; n-Valeric acid; Valeriansaeure; Propylacetic acid; VALERIC ACID, N-; CH3-[CH2]3-COOH; PENTANOIC ACID; Valeric acid, normal; Kyselina valerova [Czech]; LAEVULINIC ACID
Molecular Formula: C5H10O2
Natural Isotopic Abundance Mass: 102.1317
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
PubChem Compound (CID): 7991Reference 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)