BMRB

Biological Magnetic Resonance Data Bank


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

m-xylene

Graphical representations:

m-xylene image

Molecular Formula: C8 H10

Natural Isotopic Abundance Mass: 106.165

Mono-Isotopic Molecular Masses:

  • C12N14: 106.078250321
  • C13N14: 114.1050890234
  • C12N15: 106.078250321
  • C13N15: 114.1050890234

InCHi String: InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3

canonical and isomeric SMILES: CC1=CC(=CC=C1)C

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
1,3-dimethylbenzene

PubChem Substance (SID):   85165334   56311032   37658773
PubChem Compound (CID):   7929
KEGG: Compound ID   C07208
CAS Registry IDs:   108-38-3   68908-87-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 185566_ALDRICH   ChEBI CHEBI:28488   ChemIDplus 068908872   ChemSpider 10820484   EINECS 272-684-0   Comparative Toxicogenomics Database C031285   DTP/NCI 61769   EPA DSSTox 43550   UM-BBD c0240   ChemDB 6529573   NCGC NCGC00091711-01   NIST Chemistry WebBook 1702293136   MMCD cq_04244   MDL MFCD00008536

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.