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3300-51-4

4-(三氟甲基)苄胺(3300-51-4)核磁图(1HNMR)

分子式:C8H8F3N

分子量: 175.15

InChI:InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2

InChIKey: PRDBLLIPPDOICK-UHFFFAOYSA-N

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

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    Mass

    MS-IW-6468          
    p-(trifluoromethyl)benzylamine
    C8H8F3N             (Mass of molecular ion:    175)
    

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

          28.0      31.2
          29.0      17.6
          30.0      53.0
          31.0       1.0
          38.0       1.1
          39.0       2.3
          50.0       4.6
          51.0       5.2
          52.0       1.6
          52.5       1.0
          57.0       1.6
          62.0       2.2
          63.0       2.7
          69.0       2.4
          74.0       2.1
          75.0       5.6
          76.0       2.1
          77.0       6.9
          77.5       3.1
          78.0       2.8
          79.0       5.0
          83.0       1.1
          89.0       2.1
          95.0       3.8
          96.0       2.2
          99.0       1.4
         104.0       3.2
         105.0       1.4
         106.0      44.0
         107.0       5.1
         108.0       1.1
         109.0       7.0
         119.0       2.6
         125.0       2.8
         126.0       1.8
         127.0      32.1
         128.0       3.0
         134.0       1.1
         136.0       1.4
         138.0       1.0
         139.0       1.0
         140.0       1.3
         145.0       8.6
         146.0       2.4
         154.0       3.5
         155.0       1.8
         156.0      10.8
         157.0       1.4
         158.0       1.3
         159.0      10.2
         160.0       1.0
         172.0       6.0
         173.0       1.4
         174.0     100.0
         175.0      64.1
         176.0       6.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H8 F3 N 0.05 ml : 0.5 ml CDCl3
    p-(trifluoromethyl)benzylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.56 B 7.42 C 3.909 D 1.66

         Hz     ppm     Int.
    

        682.81   7.625    181
        679.31   7.585     66
        674.56   7.532    534
        671.00   7.493    112
        667.06   7.449    469
        658.81   7.357    168
        658.25   7.350    151
        655.25   7.317     32
        654.94   7.313     30
        654.06   7.304     24
        350.38   3.913    675
        343.81   3.839     28
        148.88   1.663   1000
    

in CDCl3

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liquid film

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