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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>619-17-0更多圖譜> 2-氨基-4-硝基苯甲酸(619-17-0)紅外圖譜(IR2)

619-17-0

2-氨基-4-硝基苯甲酸(619-17-0)紅外圖譜(IR2)

產(chǎn)品名稱:2-氨基-4-硝基苯甲酸

CAS:619-17-0

分子式:C7H6N2O4

分子量: 182.13

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

InChIKey: UEALKTCRMBVTFN-UHFFFAOYSA-N

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

  • 圖譜
    Mass

    MS-NW-7037          
    2-amino-4-nitrobenzoic acid
    C7H6N2O4            (Mass of molecular ion:    182)
    

       Source Temperature: 200 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       4.2
          27.0       1.9
          28.0       4.8
          30.0       3.0
          37.0       3.0
          38.0       6.5
          39.0      16.2
          40.0       2.5
          41.0       5.3
          42.0       1.4
          44.0       3.8
          45.0       3.0
          50.0       2.6
          51.0       5.4
          52.0      19.2
          53.0      12.7
          54.0       2.6
          55.0       1.6
          61.0       4.2
          62.0      10.1
          63.0      30.2
          64.0      10.2
          65.0      22.5
          66.0       4.0
          67.0       1.4
          68.0       3.1
          69.0       1.4
          74.0       2.1
          75.0       2.0
          76.0       1.4
          77.0       1.6
          78.0       5.3
          79.0       3.6
          80.0      18.5
          81.0       5.1
          88.0       1.3
          89.0       3.8
          90.0      35.8
          91.0      10.6
          92.0       5.0
          93.0       1.9
          94.0       1.9
         106.0       7.8
         107.0       2.9
         108.0      13.3
         109.0       1.8
         117.0       1.3
         118.0      13.8
         119.0       5.4
         134.0       2.0
         135.0       1.0
         136.0      14.5
         137.0       3.3
         138.0       1.7
         152.0       1.3
         164.0     100.0
         165.0       9.7
         166.0       2.0
         182.0      96.7
         183.0       8.6
         184.0       1.3
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 89.56 MHz
    C7 H6 N2 O4 0.040 g : 0.5 ml DMSO-d6
    2-amino-4-nitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9. B 7.924 C 7.656 D 7.256 J(B,D)=8.8HZ J(C,D)=2.4HZ

         Hz     ppm     Int.
    

        804.59   8.984     75
        714.70   7.981    764
        705.98   7.883   1000
        687.01   7.671    821
        684.62   7.645    936
        654.88   7.313    701
        652.49   7.286    580
        646.08   7.214    528
        643.77   7.189    464
    

  • 圖譜

    1H NMR 399.65 MHz
    C7 H6 N2 O4 0.033 g : 0.5 ml DMSO-d6
    2-amino-4-nitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.930 B 7.661 C 7.258

         Hz     ppm     Int.
    

       3173.83   7.942    925
       3165.13   7.920   1000
       3161.32   7.911     24
       3062.90   7.664    934
       3060.61   7.659    956
       2906.19   7.272    569
       2903.75   7.266    525
       2897.49   7.251    530
       2895.05   7.244    517
    

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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