728-86-9

4-（三氟甲基）苯甲酮(728-86-9)质谱(MS)

产品名称:4-（三氟甲基）苯甲酮

CAS:728-86-9

分子式:C14H9F3O

分子量: 250.22

InChI:InChI=1S/C14H9F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9H

InChIKey: OHTYZZYAMUVKQS-UHFFFAOYSA-N

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

Mass

MS-NW-8833          
4-(trifluoromethyl)benzophenone
C14H9F3O            (Mass of molecular ion:    250)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      50.0       3.1
      51.0      10.6
      75.0       3.0
      76.0       2.6
      77.0      35.3
      78.0       2.9
      95.0       4.5
     104.0       1.4
     105.0     100.0
     106.0       7.7
     125.0       2.6
     126.0       1.6
     145.0      25.7
     146.0       2.0
     152.0       2.0
     173.0      25.9
     174.0       2.3
     180.0       2.8
     181.0       5.3
     201.0       1.3
     231.0       3.0
     248.0       1.5
     249.0       1.3
     250.0      36.9
     251.0       5.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₉ F₃ O	0.040 g : 0.5 ml CDCl₃
4-(trifluoromethyl)benzophenone

    Assign.     Shift(ppm)

      A             7.895
      B             7.809
      C             7.756
      D             7.628
      E             7.512

     Hz     ppm     Int.

   3160.52   7.909    535
   3159.79   7.907    641
   3151.86   7.887    815
   3151.12   7.885    727
   3127.32   7.826    124
   3125.61   7.821    676
   3125.00   7.820    573
   3124.39   7.818    852
   3123.17   7.815    350
   3119.38   7.806    276
   3117.31   7.801   1000
   3115.97   7.797    906
   3104.49   7.769    761
   3103.88   7.767    877
   3096.44   7.748    510
   3095.70   7.747    675
   3095.09   7.745    579
   3058.96   7.655    120
   3057.62   7.651    231
   3056.27   7.648    132
   3053.71   7.641     30
   3052.12   7.637    168
   3050.17   7.633    509
   3048.34   7.628    181
   3046.63   7.624     35
   3044.07   7.617    245
   3042.72   7.614    418
   3041.38   7.611    217
   3010.74   7.534    162
   3009.16   7.530    660
   3007.57   7.526    299
   3001.22   7.510    891
   2999.88   7.507    298
   2995.61   7.496    203
   2993.90   7.492    449
   2993.29   7.490    327
   2992.43   7.488    139

in CDCl3