BMRB

Biological Magnetic Resonance Data Bank


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

1,2,3,4-tetrahydronaphthalene

Graphical representations:

1,2,3,4-tetrahydronaphthalene image

Molecular Formula: C10 H12

Natural Isotopic Abundance Mass: 132.20228

Mono-Isotopic Molecular Masses:

  • C12N14: 132.0939003852
  • C13N14: 142.1274487632
  • C12N15: 132.0939003852
  • C13N15: 142.1274487632

InCHi String:

canonical and isomeric SMILES: C1CCC2=CC=CC=C2C1

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
1,2,3,4-tetrahydronaphthalene

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
tetralin

PubChem Substance (SID):   85165311   5734840   24890157
PubChem Compound (CID):   8404
KEGG: Compound ID   C14114
CAS Registry IDs:   119-64-2   68412-24-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 95462_FLUKA   EPA DSSTox 34040   ChEBI CHEBI:35008   ChemBank NCIOpen2_000650   ChemIDplus 068412248   UM-BBD c0986   ChemSpider 11350928   EINECS 270-178-4   NMRShiftDB 10016526   ChemDB 5180130   NCGC NCGC00091744-01   Comparative Toxicogenomics Database C095210   NIST Chemistry WebBook 1013512868   DTP/NCI 77451   MMCD cq_09958   MDL MFCD00001733

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.