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89-62-3

4-甲基-2-硝基苯胺(89-62-3)Raman光谱

产品名称:4-甲基-2-硝基苯胺

CAS:89-62-3

分子式:C7H8N2O2

分子量: 152.15

InChI:InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3

InChIKey: DLURHXYXQYMPLT-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(C)C=C1[N+]([O-])=O

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    Mass

    MS-NW-1709          
    2-nitro-p-toluidine
    C7H8N2O2            (Mass of molecular ion:    152)
    

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

          17.0       1.4
          18.0       5.5
          26.0       3.2
          27.0      12.9
          28.0      13.2
          29.0       1.5
          30.0       6.8
          37.0       3.8
          38.0       8.4
          39.0      25.8
          40.0       4.6
          41.0       9.3
          42.0       5.8
          44.0       1.6
          46.0       1.4
          49.0       2.0
          50.0      14.3
          51.0      34.9
          52.0      35.2
          53.0      21.6
          54.0      10.3
          55.0       1.2
          61.0       2.5
          62.0       5.6
          63.0      11.9
          64.0       6.2
          65.0      13.5
          66.0      12.2
          67.0       6.6
          74.0       3.4
          75.0       3.9
          76.0       7.7
          77.0      82.7
          78.0      27.0
          79.0      62.2
          80.0      10.2
          89.0       3.9
          90.0       2.9
          91.0       7.5
          92.0       2.7
          93.0       5.6
          94.0      26.7
          95.0       1.8
         102.0       1.3
         103.0       1.0
         104.0      24.9
         105.0      13.5
         106.0      80.4
         107.0       6.9
         122.0       9.9
         135.0       2.9
         136.0       2.5
         151.0       2.7
         152.0     100.0
         153.0       8.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H8 N2 O2 0.046 g : 0.5 ml CDCl3
    2-nitro-p-toluidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.261 B 7.061 C 6.803 D 3.84 E 2.444 J(A,C)=2.3HZ. J(B,C)=8.1HZ.

         Hz     ppm     Int.
    

        651.56   7.276    173
        649.31   7.251    202
        637.75   7.121    105
        629.56   7.030    187
        613.50   6.851    130
        611.19   6.825    126
        607.31   6.782     23
        605.31   6.759     74
        602.88   6.732     70
        343.88   3.840    156
        334.13   3.731     27
        218.88   2.444   1000
    

in CDCl3

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CCl4 solution

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KBr disc

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liquid film

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nujol mull

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