CDK     1023151748

 13 14  0  0  0  0  0  0  0  0999 V2000
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0 
  7  6  2  0  0  0  0 
  8  4  1  0  0  0  0 
 10  1  1  0  0  0  0 
 10  6  1  0  0  0  0 
 10  9  2  0  0  0  0 
 11  5  1  0  0  0  0 
 11  9  1  0  0  0  0 
 12  7  1  0  0  0  0 
 12 11  2  0  0  0  0 
 13  2  1  0  0  0  0 
 13  3  1  0  0  0  0 
 13  8  1  0  0  0  0 
 13 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:89773

> <NAME>
1,2-Dihydro-1,1,6-trimethylnaphthalene

> <STAR>
2

> <SYNONYM>
TDN; Napthalene,1,2,diydro-1,1,6-trimethyl; Dehydro-AR-ionene; 3,4-Dehydroionene; 1,5,8-Trimethyl-1,2-dihydronaphthalene; 1,2-Dihydro-1,5,8-trimethylnaphthalene; 1,1,6-Trimethyl-2H-naphthalene; 1,1,6-trimethyl-1,2-dihydronaphthalene; 1,1,6-Trimethyl-1,2-dihydronaphthalene; 1,1,6-Trimethyl-1,2-dihydro-naphthalene

> <FORMULA>
C13H16

> <MASS>
172.267

> <MONOISOTOPIC_MASS>
172.12520

> <CHARGE>
0

> <SMILES>
CC=1C=CC2=C(C=CCC2(C)C)C1

> <INCHI>
InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3

> <INCHIKEY>
RTUMCNDCAVLXEP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
30364-38-6

> <PUBMED_CITATION>
22284503

$$$$