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网站主页CAS数据库列表 26830-95-5更多图谱4-甲基-2-硝基苯腈(26830-95-5)红外图谱(IR1)

4-甲基-2-硝基苯腈

产品名称 4-甲基-2-硝基苯腈

CAS号26830-95-5

分子式C8H6N2O2

分子量162.15

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  • Mass

    MS-NW-7647          
    4-methyl-2-nitrobenzonitrile
    C8H6N2O2            (Mass of molecular ion:    162)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.5
          26.0       1.3
          27.0       4.9
          28.0       3.9
          30.0      43.0
          37.0       4.5
          38.0       5.9
          39.0      26.4
          40.0       1.9
          41.0       2.5
          46.0       1.2
          49.0       1.3
          50.0       8.7
          51.0      11.4
          52.0       4.5
          53.0       2.5
          61.0       5.0
          62.0      10.6
          63.0      28.8
          64.0      12.1
          65.0       6.5
          66.0       2.0
          74.0       2.2
          75.0       4.9
          76.0       5.4
          77.0      27.4
          78.0       5.3
          85.0       1.0
          86.0       2.0
          87.0       4.2
          88.0       9.2
          89.0     100.0
          90.0      21.7
          91.0       1.6
          99.0       1.6
         102.0       2.8
         103.0       1.5
         104.0      27.8
         105.0       5.7
         114.0       5.2
         115.0       5.6
         116.0      80.8
         117.0       8.0
         118.0       2.0
         131.0       1.2
         132.0      16.7
         133.0       1.6
         146.0       1.9
         162.0      89.2
         163.0       8.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H6 N2 O2 0.040 g : 0.5 ml CDCl3
    4-methyl-2-nitrobenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.154 B 7.818 C 7.668 D 2.597

         Hz     ppm     Int.
    

       3259.28   8.156    221
       3258.54   8.154    218
       3129.15   7.830    217
       3121.22   7.810    272
       3069.34   7.681    121
       3068.60   7.679    140
       3067.75   7.677    136
       3067.02   7.675    112
       3061.40   7.661     93
       3060.79   7.659    108
       3059.94   7.657    106
       3059.20   7.655     87
       1037.96   2.598   1000
    

in CDCl3



KBr disc



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