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119-32-4

4-甲基-3-硝基苯胺(119-32-4)红外图谱(IR1)

分子式:C7H8N2O2

分子量: 152.15

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

InChIKey: GDIIPKWHAQGCJF-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1713          
    3-nitro-p-toluidine
    C7H8N2O2            (Mass of molecular ion:    152)
    

       Source Temperature: 180 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       2.3
          26.0       1.7
          27.0       8.7
          28.0      18.0
          29.0       1.3
          30.0       6.2
          37.0       1.7
          38.0       4.2
          39.0      17.8
          40.0       3.5
          41.0       8.8
          42.0       5.5
          49.0       1.1
          50.0       9.8
          51.0      24.5
          52.0      21.8
          53.0      17.9
          54.0      11.0
          55.0       1.1
          61.0       1.6
          62.0       4.2
          63.0      10.1
          64.0       4.0
          65.0      10.7
          66.0       8.9
          67.0       7.2
          74.0       2.1
          75.0       2.6
          76.0       4.2
          77.0      84.5
          78.0      29.8
          79.0      54.5
          80.0      34.9
          81.0       2.8
          89.0       5.6
          90.0       2.4
          91.0       3.8
          92.0       4.0
          93.0       5.8
          94.0       4.9
          95.0       1.1
         102.0       1.2
         104.0      38.9
         105.0      56.2
         106.0      64.6
         107.0      88.4
         108.0       8.8
         118.0       1.8
         120.0       1.0
         122.0       2.0
         135.0      77.6
         136.0       7.0
         152.0     100.0
         153.0       8.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H8 N2 O2 0.038 g : 0.5 ml CDCl3
    3-nitro-p-toluidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.276 B 7.075 C 6.810 D 3.88 E 2.449

         Hz     ppm     Int.
    

       2909.30   7.280    242
       2906.86   7.274    250
       2831.91   7.086    149
       2823.73   7.066    171
       2726.68   6.823    134
       2724.12   6.817    128
       2718.38   6.802    115
       2715.94   6.796    108
       1552.86   3.886    101
        978.88   2.450   1000
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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