Biological Magnetic Resonance Data Bank

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


Graphical representations:


View large 3D structure

Molecular Formula: C15H10O2

Natural Isotopic Abundance Mass: 222.2387

Mono-Isotopic Molecular Masses:

  • C12N14: 222.0680795652
  • C13N14: 237.1184021322
  • C12N15: 222.0680795652
  • C13N15: 237.1184021322

InChI string: InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H

PubChem Compound (CID): 10680
CAS Registry number: 525-82-6
MMCD: cq_06712
MDL number: MFCD00006825
CAS Registry number: 525-82-6
Sigma-Aldrich: F2003_SIAL
811: HMDB03075
ZINC: ZINC00057674
NMRShiftDB: 10016211
KEGG Compound ID: C10043
ChemDB: 3969680
NIST Chemistry WebBook: 2305128417

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,