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100-16-3

4-硝基苯肼(100-16-3)核磁图(1HNMR)

产品名称:4-硝基苯肼

CAS:100-16-3

分子式:C6H7N3O2

分子量: 153.14

InChI:InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2

InChIKey: KMVPXBDOWDXXEN-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4719          
    (p-nitrophenyl)hydrazine
    C6H7N3O2            (Mass of molecular ion:    153)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       3.2
          27.0       1.8
          28.0       5.2
          29.0       2.5
          30.0       6.0
          31.0       2.8
          37.0       1.9
          38.0       4.4
          39.0      10.0
          40.0       1.5
          41.0       3.9
          43.0       1.0
          50.0       8.8
          51.0       9.7
          52.0       9.3
          53.0      10.9
          54.0       2.7
          61.0       1.4
          62.0       3.2
          63.0      22.7
          64.0      13.7
          65.0       7.3
          66.0       1.6
          67.0       1.8
          74.0       3.0
          75.0       3.1
          76.0       5.3
          77.0       8.8
          78.0       4.9
          79.0       3.9
          80.0      20.2
          81.0       1.7
          90.0      32.1
          91.0      12.5
          92.0       3.2
          93.0       1.4
         105.0       2.4
         106.0       5.4
         107.0      16.5
         108.0       2.1
         122.0       1.4
         123.0      18.4
         124.0       1.5
         137.0       1.5
         138.0       1.6
         151.0       1.4
         153.0     100.0
         154.0       7.7
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C6 H7 N3 O2 0.041 g : 0.5 ml DMSO-d6
    (p-nitrophenyl)hydrazine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.41 B 8.011 C 6.815 D 4.51

         Hz     ppm     Int.
    

       3360.47   8.409    458
       3352.78   8.390     29
       3206.54   8.024    802
       3197.14   8.000    842
       2736.21   6.847     25
       2728.03   6.827    449
       2719.12   6.804    440
       2710.08   6.782     28
       2709.23   6.780     24
       1812.74   4.536     25
       1811.89   4.534     25
       1802.37   4.510   1000
       1793.21   4.487     43
    

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    1H NMR 89.56 MHz
    C6 H7 N3 O2 0.044 g : 0.5 ml DMSO-d6
    (p-nitrophenyl)hydrazine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.35 B 8.00 C 6.81 D 4.48

         Hz     ppm     Int.
    

        747.88   8.351    227
        724.38   8.089     68
        721.25   8.054    741
        719.25   8.031    201
        717.31   8.010     45
        716.25   7.998     29
        713.94   7.972    204
        711.94   7.950    913
        708.81   7.915     99
        617.38   6.894    107
        614.25   6.859   1000
        612.13   6.835    254
        609.63   6.807     30
        608.69   6.797     22
        606.94   6.777    217
        604.88   6.754    821
        601.75   6.719     92
        400.75   4.475    596
    

in DMSO-d6

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KBr disc

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nujol mull

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