3'-(Trifluoromethyl)acetophenone(349-76-8) Raman

Product Name3'-(Trifluoromethyl)acetophenone

CAS 349-76-8

Molecular FormulaC9H7F3O

Molecular Weight188.15

InChIInChI=1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3

InChIKey ABXGMGUHGLQMAW-UHFFFAOYSA-N

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

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Mass

MS-IW-7552          
3'-(trifluoromethyl)acetophenone
C9H7F3O             (Mass of molecular ion:    188)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      42.0       1.0
      43.0      13.4
      50.0       2.5
      51.0       1.4
      63.0       1.5
      69.0       1.2
      74.0       1.3
      75.0       4.6
      76.0       1.1
      77.0       1.1
      95.0       6.6
     119.0       1.1
     125.0       3.5
     126.0       1.9
     145.0      60.2
     146.0       4.9
     169.0       4.8
     173.0     100.0
     174.0       8.8
     188.0      13.4
     189.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₇ F₃ O	0.05 ml : 0.5 ml CDCl₃
3'-(trifluoromethyl)acetophenone

    Assign.     Shift(ppm)

      A             8.213
      B             8.145
      C             7.818
      D             7.622
      E             2.654

     Hz     ppm     Int.

   3282.10   8.213    118
   3281.37   8.211    105
   3259.28   8.156     69
   3251.46   8.136     73
   3129.15   7.830     54
   3128.54   7.829     61
   3127.93   7.827     54
   3121.34   7.811     63
   3120.73   7.809     72
   3120.12   7.808     64
   3053.47   7.641     61
   3045.65   7.621    101
   3037.84   7.602     47
   1063.48   2.662     53
   1060.67   2.654   1000
   1057.74   2.647     30

in CDCl3