Biological Magnetic Resonance Data Bank

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


Quadrone synonyms


Graphical representations:


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Molecular Formula: C15H20O3

Natural Isotopic Abundance Mass: 248.3175

Mono-Isotopic Molecular Masses:

  • C12N14: 248.1412445
  • C13N14: 263.19156707
  • C12N15: 248.1412445
  • C13N15: 263.19156707

InChI string: InChI=1S/C15H20O3/c1-14(2)7-15-9-4-3-8(14)10(15)5-12(16)11(15)6-18-13(9)17/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11+,15-/m1/s1

PubChem Compound (CID): 197204

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,