Biological Magnetic Resonance Data Bank

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


AZULENE synonyms



Graphical representations:


View large 3D structure

Molecular Formula: C10H8

Natural Isotopic Abundance Mass: 128.17052

Mono-Isotopic Molecular Masses:

  • C12N14: 128.062600256
  • C13N14: 138.096148636
  • C12N15: 128.062600256
  • C13N15: 138.096148636

InChI string: InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H

MMCD: cq_09527
PubChem Compound (CID): 9231

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,