BMRB

Biological Magnetic Resonance Data Bank


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

O-xylene

Graphical representations:

o-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/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3

canonical and isomeric SMILES: CC1=CC=CC=C1C

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
1,2-dimethylbenzene

PubChem Substance (SID):   85165307   10370954   587758
PubChem Compound (CID):   7237
KEGG: Compound ID   C07212
CAS Registry IDs:   68411-84-7   95-47-6   1330-20-7
PDB Chemical Component   OXE
Miscellaneous Databases and IDs:   Sigma-Aldrich 335649_ALDRICH   ChEBI CHEBI:28063   HSDB 134   ChemIDplus 068411847   ChemSpider 19158537   MMDB 54998.5   EINECS 202-422-2   CCRIS 905   NMRShiftDB 10008608   DTP/NCI 60920   NIST 2487910496   EPA DSSTox 33834   UM-BBD c0248   ChemDB 3969468   NCGC NCGC00091662-02   NIST Chemistry WebBook 2487910496   MMCD cq_04248   MDL MFCD00008519

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.