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95-64-7

3,4-二甲基苯胺(95-64-7)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):3,4-二甲基苯胺

CAS:95-64-7

分子式:C8H11N

分子量: 121.18

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

InChIKey: DOLQYFPDPKPQSS-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-1683          
3,4-xylidine
C8H11N              (Mass of molecular ion:    121)


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


          27.0       3.1
      28.0       3.8
      30.0       1.0
      38.0       1.2
      39.0       6.0
      41.0       3.1
      42.0       2.7
      50.0       1.9
      51.0       4.8
      52.0       3.3
      53.0       4.8
      54.0       1.9
      58.5       2.5
      59.5       2.3
      60.5       1.7
      63.0       2.0
      65.0       4.0
      66.0       1.7
      77.0      12.2
      78.0       3.6
      79.0       3.7
      80.0       2.6
      91.0       7.5
      92.0       1.8
      93.0       4.6
      94.0       1.7
     103.0       2.7
     104.0       2.4
     105.0       1.3
     106.0      55.3
     107.0       4.6
     117.0       1.0
     118.0       3.1
     119.0       2.8
     120.0      66.9
     121.0     100.0
     122.0       8.9

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H11 N 0.041 g : 0.5 ml CDCl3
    3,4-xylidine
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             6.89
      B             6.49
      C             6.46
      D             3.42
      E     *1      2.170
      F     *1      2.142
  

         Hz     ppm     Int.


        621.75   6.943     97
    614.19   6.858    137
    581.25   6.491    352
    578.56   6.461     60
    573.56   6.405     96
    571.13   6.378     60
    306.56   3.423    652
    194.38   2.171    887
    191.81   2.142   1000

in CDCl3

  • 圖譜

CCl4 solution

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KBr disc

  • 圖譜

nujol mull

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