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99-56-9

4-硝基邻苯二胺(99-56-9)红外图谱(IR2)

产品名称:4-硝基邻苯二胺

CAS:99-56-9

分子式:C6H7N3O2

分子量: 153.14

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

InChIKey: RAUWPNXIALNKQM-UHFFFAOYSA-N

Smiles:C1(N)=CC=C([N+]([O-])=O)C=C1N

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    Mass

    MS-NW-1614          
    4-nitro-o-phenylenediamine
    C6H7N3O2            (Mass of molecular ion:    153)
    

       Source Temperature: 220 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       2.2
          27.0       2.7
          28.0       9.3
          29.0       1.4
          30.0       1.7
          37.0       1.0
          38.0       2.5
          39.0       5.4
          40.0       1.6
          41.0       3.6
          42.0       2.3
          43.0       1.4
          50.0       3.3
          51.0       7.3
          52.0      13.5
          53.0      20.6
          54.0       5.4
          62.0       1.5
          63.0       9.9
          64.0       1.8
          65.0       2.8
          66.0       1.6
          67.0       2.9
          68.0       1.6
          76.0       1.9
          77.0       1.2
          78.0       7.0
          79.0       7.2
          80.0      40.5
          81.0       2.8
          90.0      19.2
          91.0       2.1
          94.0       1.7
          95.0       7.9
          96.0       1.2
         105.0       3.9
         106.0       3.9
         107.0      41.3
         108.0       3.4
         123.0      10.5
         153.0     100.0
         154.0       8.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C6 H7 N3 O2 0.038 g : 0.5 ml DMSO-d6
    4-nitro-o-phenylenediamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.450 B 7.428 C 6.560 D 6.06 E 5.08

         Hz     ppm     Int.
    

       2983.89   7.467    329
       2981.20   7.460    469
       2975.34   7.445    263
       2972.66   7.439    641
       2969.85   7.432   1000
       2967.29   7.425    572
       2960.45   7.408     22
       2631.23   6.584     22
       2625.98   6.571    734
       2617.43   6.550    712
       2612.06   6.536     28
       2422.61   6.062    406
       2031.49   5.084    395
    

in DMSO-d6

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KBr disc

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nujol mull

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