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4403-69-4

2-氨基苄胺(4403-69-4)核磁图(13CNMR)

产品名称:2-氨基苄胺

CAS:4403-69-4

分子式:C7H10N2

分子量: 122.17

InChI:InChI=1S/C7H10N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5,8-9H2

InChIKey: GVOYKJPMUUJXBS-UHFFFAOYSA-N

Smiles:C1(CN)=CC=CC=C1N

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    Mass

    MS-KW-0559          
    2-aminobenzylamine
    C7H10N2             (Mass of molecular ion:    122)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       3.6
          27.0       2.2
          28.0      11.6
          29.0       1.0
          30.0      12.0
          37.0       1.0
          38.0       2.6
          39.0       8.9
          40.0       1.8
          41.0       3.5
          42.0       1.4
          50.0       3.5
          51.0       9.6
          52.0       7.2
          53.0       2.8
          54.0       2.3
          60.0       1.9
          60.5       3.2
          61.0       5.2
          62.0       1.5
          63.0       3.5
          64.0       2.4
          65.0      10.4
          66.0       7.9
          67.0       2.8
          74.0       1.0
          75.0       1.3
          76.0       3.6
          77.0      29.5
          78.0      41.5
          79.0       9.1
          80.0       1.7
          91.0       2.2
          92.0       4.8
          93.0      15.7
          94.0      29.0
          95.0       2.2
         102.0       1.1
         103.0       2.4
         104.0      82.4
         105.0      56.2
         106.0      33.8
         107.0       3.1
         118.0       2.2
         119.0       2.5
         120.0       2.2
         121.0      39.5
         122.0     100.0
         123.0       8.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7H10N2 0.037 g : 0.5 ml CDCl3
    2-aminobenzylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.072 B 7.023 C 6.688 D 6.649 E 3.851

         Hz     ppm     Int.
    

       2835.94   7.094    165
       2834.36   7.090    186
       2828.25   7.075    279
       2826.91   7.072    322
       2820.81   7.056    188
       2819.22   7.052    223
       2812.63   7.036    251
       2812.14   7.035    268
       2811.04   7.032    244
       2810.55   7.031    225
       2805.18   7.017    281
       2804.69   7.016    299
       2804.20   7.015    253
       2803.59   7.013    258
       2803.11   7.012    237
       2684.58   6.716     29
       2681.04   6.707    232
       2679.81   6.704    265
       2677.25   6.697     49
       2673.59   6.688    406
       2672.49   6.685    455
       2666.26   6.670    209
       2665.04   6.667    242
       2661.99   6.659    371
       2661.14   6.657    333
       2654.18   6.640    335
       2653.20   6.637    310
       1776.62   4.444     14
       1540.29   3.853   1000
       1459.48   3.651     12
        599.49   1.500     14
    

in CDCl3

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KBr disk

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Nujol

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