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452-84-6

2-氟-5-甲基苯胺(452-84-6)质谱(MS)

产品名称:2-氟-5-甲基苯胺

CAS:452-84-6

分子式:C7H8FN

分子量: 125.14

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

InChIKey: QZUXMXZNVAJNSE-UHFFFAOYSA-N

Smiles:C1(N)=CC(C)=CC=C1F

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    Mass

    MS-NW-9728          
    6-fluoro-m-toluidine
    C7H8FN              (Mass of molecular ion:    125)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       1.5
          39.0       1.4
          50.0       1.0
          51.0       3.1
          52.0       1.5
          52.5       1.5
          57.0       1.7
          62.0       2.4
          62.5       3.3
          63.0       1.2
          70.0       1.1
          75.0       1.1
          77.0       7.0
          78.0       3.4
          83.0       1.4
          95.0       2.9
          96.0       2.5
          97.0       8.8
          98.0       2.0
         104.0       4.3
         106.0       3.3
         107.0       2.4
         108.0       1.1
         109.0       3.6
         122.0       1.7
         124.0      97.8
         125.0     100.0
         126.0       7.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H8 F N 0.05 ml : 0.5 ml CDCl3
    6-fluoro-m-toluidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.821 B 6.510 C 6.441 D 3.59 E 2.188

         Hz     ppm     Int.
    

       2736.08   6.847    176
       2727.91   6.826    198
       2724.98   6.819    187
       2716.80   6.798    200
       2607.54   6.525    116
       2607.18   6.524    117
       2605.47   6.520    136
       2598.88   6.503    118
       2598.51   6.502    119
       2596.68   6.498    141
       2596.31   6.497    137
       2581.67   6.460     75
       2580.93   6.458     76
       2580.20   6.457     58
       2579.47   6.455     72
       2578.86   6.453     67
       2577.15   6.449     82
       2576.42   6.447     82
       2575.68   6.445     62
       2574.95   6.444     76
       2574.22   6.442     90
       2573.49   6.440     91
       2572.75   6.438     77
       2572.02   6.436     58
       2571.29   6.434     69
       2570.56   6.433     67
       2569.82   6.431     50
       2568.85   6.428     75
       2568.24   6.427     74
       2567.50   6.425     55
       2566.65   6.423     66
       2566.04   6.421     61
       1432.98   3.586    509
        874.51   2.189   1000
    

in CDCl3

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liquid film

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