Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2-methylnaphthalene-1,4-dione synonyms



Graphical representations:


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Molecular Formula: C11H8O2

Natural Isotopic Abundance Mass: 172.18002

Mono-Isotopic Molecular Masses:

  • C12N14: 172.052429496
  • C13N14: 183.089332714
  • C12N15: 172.052429496
  • C13N15: 183.089332714

InChI string: InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3

MMCD: cq_02997
PDB Compound ID: VK3
PubChem Compound (CID): 4055

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,