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24596-19-8

4-溴-2,6-二甲基苯胺(24596-19-8)质谱(MS)

分子式:C8H10BrN

分子量: 200.08

InChI:InChI=1S/C8H10BrN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3

InChIKey: QGLAYJCJLHNIGJ-UHFFFAOYSA-N

Smiles:C1(N)=C(C)C=C(Br)C=C1C

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    Mass

    MS-IW-9731          
    4-bromo-2,6-xylidine
    C8H10BrN            (Mass of molecular ion:    199)
    

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

          27.0       2.8
          28.0       5.4
          30.0       3.2
          38.0       1.9
          39.0       7.3
          41.0       2.6
          42.0       6.3
          45.5       1.3
          46.5       5.3
          50.0       3.0
          51.0       6.9
          52.0       5.2
          53.0       3.8
          54.0       3.8
          58.5      12.8
          59.0       2.5
          59.5       6.6
          60.0       5.9
          62.0       2.2
          63.0       5.0
          64.0       1.6
          65.0       7.5
          66.0       2.0
          74.0       1.1
          75.0       1.6
          76.0       1.9
          77.0      14.8
          78.0       4.3
          79.0       2.7
          80.0       2.2
          89.0       2.4
          90.0       2.0
          91.0      15.6
          92.0       7.4
          93.0       7.8
          94.0       1.5
          99.5       5.5
         100.5       4.9
         102.0       3.0
         103.0      10.5
         104.0       5.7
         105.0       2.6
         106.0       1.5
         117.0       2.7
         118.0       8.3
         119.0      10.4
         120.0      85.9
         121.0      10.0
         184.0       5.7
         186.0       5.2
         198.0      20.5
         199.0     100.0
         200.0      28.8
         201.0      97.4
         202.0       8.8
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H10 Br N 0.041 g : 0.5 ml CDCl3
    4-bromo-2,6-xylidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.044 B 3.53 C 2.123

         Hz     ppm     Int.
    

       2815.92   7.046    230
       2815.19   7.045    276
       2814.58   7.043    225
       1413.33   3.537     46
        849.37   2.126    751
        848.75   2.124   1000
        848.14   2.123    676
    

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    1H NMR 89.56 MHz
    C8 H10 Br N 0.051 g : 0.5 ml CDCl3
    4-bromo-2,6-xylidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.035 B 3.5 C 2.116

         Hz     ppm     Int.
    

        630.13   7.036    256
        314.31   3.510     33
        189.63   2.118   1000
    

in CDCl3

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KBr disc

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nujol mull

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