t-Butyl 4-(trifluoromethoxy)phenyl ketone
  -molcms-05212607002D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.3301    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    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
    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 C   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
    1.7321    2.0000    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
   -0.8660    1.5000    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
    0.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    2.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  2  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
>  <ProductName>
t-Butyl 4-(trifluoromethoxy)phenyl ketone

>  <CASNumber>
1263313-09-2

>  <MolecularFormula>
C12H13F3O2

>  <MDLNo>
MFCD20441947

>  <MolWt>
246.23

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
FC(OC1C=CC(=CC=1)C(C(C)(C)C)=O)(F)F

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