BMRB

Biological Magnetic Resonance Data Bank


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

Acenaphthene

Acenaphthene bmse001198 - Data

Acenaphthene synonyms

Acenaphthene

Wikipedia:

Graphical representations:

Acenaphthene image

View large 3D structure

Molecular Formula: C12H10

Natural Isotopic Abundance Mass: 154.2078

Mono-Isotopic Molecular Masses:

  • C12N14: 154.07825032
  • C13N14: 166.118508376
  • C12N15: 154.07825032
  • C13N15: 166.118508376

InChI String: InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   6734
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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, https://www.nature.com/articles/sdata201773