BMRB

Biological Magnetic Resonance Data Bank


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

P-cymene

Graphical representations:

p-cymene image

Molecular Formula: C10 H14

Natural Isotopic Abundance Mass: 134.21816

Mono-Isotopic Molecular Masses:

  • C12N14: 134.1095504494
  • C13N14: 144.1430988274
  • C12N15: 134.1095504494
  • C13N15: 144.1430988274

InCHi String: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3

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

PUBCHEM iupac NAME
1-methyl-4-propan-2-ylbenzene

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
1-isopropyl-4-methyl-benzene

PUBCHEM iupac CAS NAME
1-isopropyl-4-methylbenzene

PUBCHEM iupac SYSTEMATIC NAME
1-methyl-4-propan-2-yl-benzene

PubChem Substance (SID):   85165285   14709194   8804
PubChem Compound (CID):   7463
KEGG: Compound ID   C06575
CAS Registry IDs:   99-87-6   4939-75-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich C121452_ALDRICH   ChEBI CHEBI:28768   EPA DSSTox 41534   LipidMAPS LMPR01020045   HSDB 5128   ChemIDplus 004939757   UM-BBD c0375   ChemSpider 11627812   EINECS 202-796-7   NMRShiftDB 10008802   NIAID 032323   DTP/NCI 4162   NIST Chemistry WebBook 3667213967   MMCD cq_03754   MDL MFCD00008893

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.