21906-39-8

3-(Trifluoromethyl)phenylacetone(21906-39-8) MS

Product Name3-(Trifluoromethyl)phenylacetone

CAS 21906-39-8

Molecular FormulaC10H9F3O

Molecular Weight202.17

InChIInChI=1S/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3

InChIKey JPHQCDCEBDRIOL-UHFFFAOYSA-N

SmilesC(C1=CC=CC(C(F)(F)F)=C1)C(=O)C

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3-(Trifluoromethyl)phenylacetone(21906-39-8) MS
Mass

MS-NW-8660          
(m-(trifluoromethyl)phenyl)acetone
C10H9F3O            (Mass of molecular ion:    202)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.2
      39.0       1.7
      43.0     100.0
      44.0       2.3
      51.0       1.2
      63.0       2.3
      75.0       1.2
      83.0       1.0
      89.0       2.1
      91.0       1.2
     109.0       5.0
     119.0       2.4
     139.0       1.0
     140.0       2.4
     145.0       1.6
     159.0      10.7
     160.0       1.2
     173.0       2.2
     183.0       3.9
     202.0       2.5

400 MHz in CDCl3

3-(Trifluoromethyl)phenylacetone(21906-39-8) MS

¹H NMR	399.65 MHz
C₁₀ H₉ F₃ O	0.05 ml : 0.5 ml CDCl₃
(m-(trifluoromethyl)phenyl)acetone

    Assign.     Shift(ppm)

      A             7.520
      B             7.46
      C             7.45
      D             7.381
      E             3.781
      F             2.196

     Hz     ppm     Int.

   3010.01   7.532     73
   3002.44   7.513    113
   2981.81   7.462    213
   2981.20   7.460    200
   2980.59   7.459    197
   2973.75   7.441    141
   2966.06   7.422     83
   2952.64   7.389    121
   2944.95   7.369     72
   1511.23   3.782    517
    881.84   2.207     29
    877.56   2.196   1000

in CDCl3