13885
  CDK     0128212310

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.7932   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5306   -0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5306    0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781   -0.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781    0.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  8  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6 12  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:167409

> <NAME>
2,3-Dimethyldecahydronaphthalene

> <STAR>
2

> <IUPAC_NAME>
2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

> <FORMULA>
C12H22

> <MASS>
166.308

> <MONOISOTOPIC_MASS>
166.17215

> <CHARGE>
0

> <SMILES>
C12C(CC(C(C1)C)C)CCCC2

> <INCHI>
InChI=1S/C12H22/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h9-12H,3-8H2,1-2H3

> <INCHIKEY>
UBGLIVPMNDOOTE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1008-80-6

> <CHEMIDPLUS>
1008-80-6

$$$$