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108-45-2

间苯二胺(108-45-2)核磁图(1HNMR)

产品名称:间苯二胺

CAS:108-45-2

分子式:C6H8N2

分子量: 108.14

InChI:InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2

InChIKey: WZCQRUWWHSTZEM-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1723          
    m-phenylenediamine
    C6H8N2              (Mass of molecular ion:    108)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          17.0       2.7
          18.0      12.2
          27.0       2.6
          28.0       8.0
          30.0       1.4
          37.0       1.2
          38.0       3.0
          39.0       6.3
          40.0       3.0
          41.0       6.2
          42.0       3.3
          43.0       1.1
          44.0       1.6
          50.0       1.5
          51.0       3.0
          52.0       6.3
          53.0      11.0
          54.0      11.4
          55.0       1.2
          62.0       1.2
          63.0       3.1
          64.0       3.8
          65.0       4.2
          66.0       2.3
          67.0       2.8
          68.0       1.2
          78.0       1.4
          79.0       1.3
          80.0      39.0
          81.0      25.4
          82.0       1.9
          90.0       1.1
          91.0       5.9
         107.0       9.1
         108.0     100.0
         109.0       7.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H8 N2 0.039 g : 0.5 ml CDCl3
    m-phenylenediamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.912 B 6.076 C 5.944 D 3.53

         Hz     ppm     Int.
    

       2770.39   6.933    294
       2765.63   6.921     24
       2762.70   6.913    563
       2754.88   6.894    325
       2433.23   6.089    979
       2431.03   6.083    925
       2428.22   6.076     46
       2425.42   6.069    804
       2423.22   6.064   1000
       2377.81   5.950    344
       2377.44   5.949    360
       2375.61   5.945    598
       2375.24   5.944    608
       2373.41   5.939    320
       2373.05   5.938    312
       1410.64   3.530    487
    

in CDCl3

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KBr disc

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liquid film

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nujol mull

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