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351-36-0

3-乙酰氨基三氟甲苯(351-36-0)核磁图(13CNMR)

分子式:C9H8F3NO

分子量: 203.16

InChI:InChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)

InChIKey: HNIPNANLYHXYDE-UHFFFAOYSA-N

Smiles:C(NC1=CC=CC(C(F)(F)F)=C1)(=O)C

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    Mass

    MS-NW-7227          
    3'-(trifluoromethyl)acetanilide
    C9H8F3NO            (Mass of molecular ion:    203)
    

       Source Temperature: 210 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       1.9
          38.0       1.1
          39.0       1.7
          42.0       1.1
          43.0      42.8
          44.0       1.2
          50.0       1.1
          57.0       1.0
          62.0       1.0
          63.0       3.2
          64.0       1.7
          65.0       2.1
          75.0       1.8
          83.0       1.8
          91.0       1.3
          95.0       1.5
         111.0       3.9
         113.0       2.3
         114.0       6.7
         133.0       2.2
         140.0       2.1
         141.0       2.1
         142.0       5.0
         145.0       3.0
         160.0       3.1
         161.0     100.0
         162.0       8.7
         184.0       4.8
         203.0      18.3
         204.0       2.1
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H8 F3 N O 0.030 g : 0.5 ml CDCl3
    3'-(trifluoromethyl)acetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.30 B 7.829 C 7.700 D 7.392 E 7.340 F 2.193

         Hz     ppm     Int.
    

       3315.19   8.296     48
       3128.91   7.830    134
       3081.79   7.712     68
       3073.85   7.692     76
       2963.26   7.415     44
       2955.44   7.396    106
       2947.63   7.376     76
       2936.16   7.347    108
       2928.47   7.328     56
        876.83   2.194   1000
    

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    1H NMR 89.56 MHz
    C9 H8 F3 N O 0.040 g : 0.5 ml CDCl3
    3'-(trifluoromethyl)acetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.2 B 7.81 C 7.68 D 7.50 to 7.290 E 2.186

         Hz     ppm     Int.
    

        699.25   7.808    101
        695.50   7.766     38
        692.19   7.729     44
        690.69   7.713     35
        690.25   7.708     36
        689.69   7.701     34
        689.13   7.695     34
        688.75   7.691     33
        688.19   7.685     33
        686.19   7.662     54
        684.88   7.648     37
        684.06   7.639     37
        663.50   7.409     90
        660.81   7.379     76
        660.50   7.375     77
        659.50   7.364     74
        657.44   7.341    162
        656.31   7.329    140
        195.81   2.187   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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