4'-三氟甲基苯乙酮(709-63-7)核磁圖(¹HNMR)

產品名稱:4'-三氟甲基苯乙酮

CAS:709-63-7

分子式:C9H7F3O

分子量: 188.15

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

InChIKey: HHAISVSEJFEWBZ-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(C(F)(F)F)C=C1)C

Mass

MS-KW-0554          
4'-(trifluoromethyl)acetophenone
C9H7F3O             (Mass of molecular ion:    188)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.5
      39.0       1.0
      42.0       1.3
      43.0      16.0
      50.0       4.4
      51.0       2.3
      57.0       1.5
      62.0       1.0
      63.0       2.1
      69.0       1.8
      74.0       2.2
      75.0       6.8
      76.0       1.7
      77.0       1.0
      95.0       8.8
      96.0       1.0
      99.0       1.2
     119.0       1.5
     125.0       4.6
     126.0       2.8
     144.0       1.1
     145.0      69.6
     146.0       5.7
     169.0       4.9
     173.0     100.0
     174.0       8.9
     188.0      14.2
     189.0       1.5

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₉H₇F₃O	0.038 g : 0.5 ml CDCl₃
4'-(trifluoromethyl)acetophenone

    Assign.     Shift(ppm)

     A           8.064
     B           7.734
     C           2.652

     Hz     ppm     Int.

   3228.40   8.076    111
   3227.67   8.074    125
   3219.61   8.054    136
   3218.88   8.052    116
   3096.20   7.745    132
   3095.59   7.744    148
   3087.41   7.723    131
   3086.80   7.722    108
   1059.94   2.652   1000
   1056.77   2.644     19

¹H NMR	89.56 MHz
C₉ H₇ F₃ O	0.05 g : 0.5 ml CDCl₃
4'-(trifluoromethyl)acetophenone

    Assign.     Shift(ppm)

      A             8.06
      B             7.73
      C             2.643

     Hz     ppm     Int.

    726.94   8.117     76
    726.19   8.109     81
    718.13   8.019    126
    695.69   7.768    129
    695.19   7.763    132
    686.94   7.671     79
    236.88   2.645   1000
    235.75   2.633     55
    234.06   2.614     26

in CDCl3