1-Benzoylcyclohexanol
  -molcms-05272605122D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.5924    1.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660    0.6428    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
   -0.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7660   -0.6428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7057    0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718    0.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4115    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5851   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8191   -1.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8794   -0.6840    0.0000 C   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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  3  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <ProductName>
1-Benzoylcyclohexanol

>  <CASNumber>
947-19-3

>  <MolecularFormula>
C13H16O2

>  <MDLNo>
MFCD00059561

>  <MolWt>
204.26

>  <BoilingPoint>
175?��C/15?mmHg(lit.)

>  <MeltingPoint>
47.0 to 50.0 deg-C

>  <MolFile>


>  <Smiles>
O=C(C1(CCCCC1)O)C1C=CC=CC=1

$$$$