BMRB

Biological Magnetic Resonance Data Bank


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

Gamma-terpinene

Graphical representations:

gamma-terpinene image

Molecular Formula: C10 H16

Natural Isotopic Abundance Mass: 136.23404

Mono-Isotopic Molecular Masses:

  • C12N14: 136.1252005136
  • C13N14: 146.1587488916
  • C12N15: 136.1252005136
  • C13N15: 146.1587488916

InCHi String: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3

canonical and isomeric SMILES: CC1=CCC(=CC1)C(C)C

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
1-methyl-4-propan-2-ylcyclohexa-1,4-diene

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
1-isopropyl-4-methyl-cyclohexa-1,4-diene

PUBCHEM iupac SYSTEMATIC NAME
1-methyl-4-propan-2-yl-cyclohexa-1,4-diene

PubChem Substance (SID):   111677903   24888685   12086
PubChem Compound (CID):   7461
KEGG: Compound ID   C09900
CAS Registry IDs:   99-85-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 99-85-4   MMCD cq_06569   Sigma-Aldrich 86478_FLUKA   NIST Chemistry WebBook 1468281627

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.