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443-86-7

3-氟-2-甲基苯胺(443-86-7)红外图谱(IR1)

产品名称:3-氟-2-甲基苯胺

CAS:443-86-7

分子式:C7H8FN

分子量: 125.14

InChI:InChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3

InChIKey: SLDLVGFPFFLYBM-UHFFFAOYSA-N

Smiles:C1(N)=CC=CC(F)=C1C

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    Mass

    MS-IW-1279          
    3-fluoro-o-toluidine
    C7H8FN              (Mass of molecular ion:    125)
    

       Source Temperature: 240 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          28.0       3.1
          30.0       7.9
          39.0       1.9
          50.0       1.8
          51.0       4.8
          51.5       1.2
          52.0       2.5
          52.5       3.2
          57.0       2.1
          62.0       3.4
          62.5       3.1
          63.0       1.4
          70.0       1.8
          75.0       2.2
          77.0       7.4
          78.0       2.5
          83.0       1.4
          95.0       4.5
          96.0       3.9
          97.0       9.7
          98.0       2.2
         104.0       3.3
         106.0       2.8
         107.0       6.9
         108.0       6.3
         109.0       4.1
         122.0       2.2
         124.0     100.0
         125.0      90.7
         126.0       7.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H8 F N 0.05 ml : 0.5 ml CDCl3
    3-fluoro-o-toluidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.907 B 6.442 C 6.387 D 3.64 E 2.007

         Hz     ppm     Int.
    

       2772.46   6.938     65
       2771.97   6.936     66
       2764.04   6.917    148
       2757.57   6.900    150
       2756.35   6.897    111
       2749.88   6.881     80
       2749.39   6.880     82
       2583.50   6.465    118
       2574.83   6.443    192
       2565.80   6.421    111
       2556.64   6.398    223
       2548.71   6.378    213
       1453.98   3.639    111
        803.22   2.010    781
        801.39   2.006   1000
    

in CDCl3

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liquid film

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