BMRB

Biological Magnetic Resonance Data Bank


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

1-methylnaphthalene

Graphical representations:

1-methylnaphthalene image

Molecular Formula: C11 H10

Natural Isotopic Abundance Mass: 142.1971

Mono-Isotopic Molecular Masses:

  • C12N14: 142.078250321
  • C13N14: 153.1151535368
  • C12N15: 142.078250321
  • C13N15: 153.1151535368

InCHi String:

canonical and isomeric SMILES: CC1=CC=CC2=CC=CC=C12

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
1-methylnaphthalene

PubChem Substance (SID):   85165312   48424423   24897036
PubChem Compound (CID):   7002
KEGG: Compound ID   C14082
CAS Registry IDs:   78900-94-4   90-12-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich M56808_ALDRICH   ChEBI CHEBI:50717   EPA DSSTox 32786   ChemIDplus 078900944   UM-BBD c0713   ChemSpider 6736   ChemDB 6529492   NCGC NCGC00091700-01   DTP/NCI 3574   Comparative Toxicogenomics Database C025968   NIST Chemistry WebBook 3116376037   MMCD cq_09926   MDL MFCD00004034

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.