tert-butyl 9-oxononanoate
  -molcms-06152620232D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.7321   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6603    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5263    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <ProductName>
tert-butyl 9-oxononanoate

>  <CASNumber>
111699-10-6

>  <MolecularFormula>
C13H24O3

>  <MDLNo>


>  <MolWt>
228.33

>  <BoilingPoint>
293.1��23.0 ��C(Predicted)

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O=C(OC(C)(C)C)CCCCCCCC=O

$$$$