4-Oxo-1-(m-tolyl)cyclohexanecarbonitrile
  -molcms-05232611472D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.2552   -1.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124   -0.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6276   -0.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848    0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268    1.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3116    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544    0.5209    0.0000 C   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
    0.8660   -0.5000    0.0000 C   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
    1.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    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
   -0.3420   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6840   -1.8794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  4  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  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <ProductName>
4-Oxo-1-(m-tolyl)cyclohexanecarbonitrile

>  <CASNumber>
73312-15-9

>  <MolecularFormula>
C14H15NO

>  <MDLNo>
MFCD11849771

>  <MolWt>
213.28

>  <BoilingPoint>
387.9��42.0��

>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
CC1=CC(=CC=C1)C2(CCC(=O)CC2)C#N

$$$$