BMRB

Biological Magnetic Resonance Data Bank


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

9-fluorenone

Graphical representations:

9-fluorenone image

Molecular Formula: C13 H8 O

Natural Isotopic Abundance Mass: 180.20202

Mono-Isotopic Molecular Masses:

  • C12N14: 180.0575148789
  • C13N14: 193.1011277703
  • C12N15: 180.0575148789
  • C13N15: 193.1011277703

InCHi String:

canonical and isomeric SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
fluoren-9-one

PUBCHEM iupac CAS NAME
9-fluorenone

PubChem Substance (SID):   85165302   71325   588820
PubChem Compound (CID):   10241
KEGG: Compound ID   C06712
CAS Registry IDs:   486-25-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich F1506_ALDRICH   ChEBI CHEBI:17922   HSDB 5490   ChemIDplus 000486259   ChemSpider 11398526   EINECS 207-630-7   CCRIS 593   NMRShiftDB 10015921   DTP/NCI 5181   ZINC ZINC00968253   UM-BBD c0390   ChemDB 4676782   NIST Chemistry WebBook 1574143123   MMCD cq_03869   MDL MFCD00001141

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.