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587-02-0

3-乙基苯胺(587-02-0)核磁图(1HNMR)

产品名称:3-乙基苯胺

CAS:587-02-0

分子式:C8H11N

分子量: 121.18

InChI:InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3

InChIKey: AMKPQMFZCBTTAT-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0445          
    m-ethylaniline
    C8H11N              (Mass of molecular ion:    121)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.2
          27.0       2.8
          28.0       4.2
          30.0       1.9
          38.0       1.6
          39.0       7.5
          40.0       1.1
          41.0       2.7
          42.0       2.1
          50.0       1.6
          51.0       4.4
          52.0       3.4
          53.0       4.1
          54.0       1.9
          58.5       2.5
          59.5       1.7
          62.0       1.1
          63.0       2.6
          64.0       1.3
          65.0       6.3
          66.0       3.2
          67.0       1.2
          77.0      15.0
          78.0       5.0
          79.0       9.5
          80.0       4.6
          89.0       1.5
          91.0       5.1
          92.0       2.4
          93.0      11.8
          94.0       4.4
         103.0       3.2
         104.0       2.8
         105.0       1.3
         106.0     100.0
         107.0       7.8
         117.0       1.0
         118.0       2.3
         119.0       2.5
         120.0      20.7
         121.0      99.0
         122.0       9.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H11 N 0.04 ml : 0.5 ml CDCl3
    m-ethylaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.04 B 6.59 C 6.52 D 6.47 E 3.45 F 2.538 G 1.200

         Hz     ppm     Int.
    

        640.06   7.147     68
        638.00   7.124     43
        632.75   7.066    124
        631.75   7.054    107
        630.38   7.039     66
        626.50   6.996     42
        624.19   6.970    158
        595.63   6.651     67
        594.88   6.643    108
        594.31   6.636    155
        593.69   6.629    131
        593.00   6.622    118
        588.25   6.569     49
        587.13   6.556     95
        586.56   6.550    116
        586.00   6.544    119
        584.31   6.525    355
        583.50   6.516    285
        582.94   6.509    338
        580.81   6.486    107
        577.81   6.452    111
        576.63   6.439    100
        575.50   6.426     64
        574.38   6.414     54
        309.44   3.456    590
        239.75   2.677     67
        232.06   2.592    227
        224.50   2.507    257
        217.00   2.423    102
        114.63   1.280    449
        107.25   1.198   1000
        106.81   1.193    664
         99.50   1.111    340
    

in CDCl3

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CCl4 solution

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liquid film

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