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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>13280-60-9更多圖譜> 5-氨基-2-硝基苯甲酸(13280-60-9)紅外圖譜(IR1)

13280-60-9

5-氨基-2-硝基苯甲酸(13280-60-9)紅外圖譜(IR1)

產(chǎn)品名稱:5-氨基-2-硝基苯甲酸

CAS:13280-60-9

分子式:C7H6N2O4

分子量: 182.13

InChI:InChI=1S/C7H6N2O4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,8H2,(H,10,11)

InChIKey: KZZWQCKYLNIOBT-UHFFFAOYSA-N

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

  • 圖譜
    Mass

    MS-NW-2169          
    5-amino-2-nitrobenzoic acid
    C7H6N2O4            (Mass of molecular ion:    182)
    

       Source Temperature: 230 °C
       Sample Temperature: 250 °C
       Direct, 75 eV
    

          12.0       2.0
          14.0       1.2
          15.0       1.0
          16.0       4.4
          17.0       8.7
          18.0      40.7
          25.0       1.0
          26.0       6.1
          27.0      14.1
          28.0      22.5
          29.0       1.4
          30.0      22.4
          36.0       1.1
          37.0       6.1
          38.0      10.0
          39.0      30.0
          40.0       5.2
          41.0      26.3
          42.0       4.4
          43.0       1.7
          44.0      84.5
          44.5       1.0
          45.0       3.7
          45.5       1.0
          46.0       1.6
          49.0       1.7
          50.0       8.1
          51.0      13.6
          52.0      27.0
          53.0      29.2
          54.0       8.0
          55.0       2.0
          61.0       5.0
          62.0      10.9
          63.0      33.2
          64.0      17.6
          65.0      75.4
          66.0      12.2
          67.0       2.8
          68.0      10.9
          74.0       2.2
          75.0       2.8
          76.0       3.6
          77.0      10.8
          78.0       9.3
          79.0      11.2
          80.0      76.4
          81.0       9.4
          88.0       1.2
          89.0       2.7
          90.0       9.3
          91.0      13.8
          92.0      34.4
          93.0       4.3
          94.0       1.7
          96.0       3.9
         104.0       2.8
         105.0       8.2
         106.0       9.8
         107.0       4.8
         108.0      77.4
         109.0       6.2
         118.0       1.7
         120.0       2.1
         121.0       1.5
         122.0       9.0
         124.0       1.0
         134.0       3.0
         136.0       4.0
         137.0       2.3
         138.0      54.6
         139.0       4.2
         148.0       8.8
         149.0       1.0
         152.0      50.1
         153.0       4.5
         166.0       4.4
         182.0     100.0
         183.0       9.1
         184.0       1.4
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C7 H6 N2 O4 0.039 g : 0.5 ml DMSO-d6
    5-amino-2-nitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 7.907 C 6.8 D 6.661 E 6.619

         Hz     ppm     Int.
    

       3165.94   7.922    924
       3161.24   7.911     28
       3156.97   7.900    934
       2737.51   6.850    285
       2668.06   6.676    435
       2665.50   6.670    528
       2659.08   6.654    370
       2656.52   6.648    565
       2646.69   6.623   1000
       2644.34   6.617    771
          0.00   0.001     30
    

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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