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349-76-8

间三氟甲基苯乙酮(349-76-8)核磁图(1HNMR)

分子式:C9H7F3O

分子量: 188.15

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

InChIKey: ABXGMGUHGLQMAW-UHFFFAOYSA-N

Smiles:C(=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

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

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liquid film

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4880 A,200 M,liquid

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