BMRB

Biological Magnetic Resonance Data Bank


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

Dibenzofuran

Graphical representations:

dibenzofuran image

Molecular Formula: C12 H8 O

Natural Isotopic Abundance Mass: 168.19132

Mono-Isotopic Molecular Masses:

  • C12N14: 168.0575148789
  • C13N14: 180.0977729325
  • C12N15: 168.0575148789
  • C13N15: 180.0977729325

InCHi String: InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

canonical and isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3O2

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
dibenzofuran

PubChem Substance (SID):   85165328   151750   24854168
PubChem Compound (CID):   568
KEGG: Compound ID   C07729
CAS Registry IDs:   132-64-9   214827-48-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 236373_ALDRICH   ChEBI CHEBI:28145   HSDB 2163   ChemIDplus 000132649   ChemSpider 11500065   EINECS 205-071-3   CCRIS 1436   NMRShiftDB 10008777   NIAID 018166   DTP/NCI 1245   EPA DSSTox 31147   ZINC ZINC03861058   UM-BBD c0039   ChemDB 3969633   NIST Chemistry WebBook 1993488379   MMCD cq_04660   MDL MFCD00004968

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.