16537
  CDK     0409211651

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4750    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    2.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1 13  1  0  0  0  0 
  2 13  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  4 10  1  0  0  0  0 
  4 11  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:168454

> <NAME>
alpha-Terpineol formate

> <STAR>
2

> <IUPAC_NAME>
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl ormate

> <FORMULA>
C11H18O2

> <MASS>
182.263

> <MONOISOTOPIC_MASS>
182.13068

> <CHARGE>
0

> <SMILES>
O(C(C1CCC(=CC1)C)(C)C)C=O

> <INCHI>
InChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3

> <INCHIKEY>
IPYLQIQMGUZFCK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2153-26-6

> <CHEMIDPLUS>
2153-26-6

$$$$