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610-30-0

2,4-二硝基苯甲酸(610-30-0)红外图谱(IR1)

产品名称:2,4-二硝基苯甲酸

CAS:610-30-0

分子式:C7H4N2O6

分子量: 212.12

InChI:InChI=1S/C7H4N2O6/c10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h1-3H,(H,10,11)

InChIKey: ZIIGSRYPZWDGBT-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0484          
    2,4-dinitrobenzoic acid
    C7H4N2O6            (Mass of molecular ion:    212)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       3.0
          28.0       3.5
          29.0       1.0
          30.0     100.0
          37.0       4.3
          38.0       7.4
          39.0       4.5
          44.0       8.0
          45.0       5.2
          46.0       3.1
          49.0       1.7
          50.0      16.3
          51.0       4.9
          52.0       5.9
          53.0      30.6
          54.0       1.7
          55.0       1.4
          61.0       3.4
          62.0       7.7
          63.0      25.3
          64.0      30.9
          65.0       2.7
          66.0       2.2
          69.0       1.5
          73.0       4.4
          74.0      28.0
          75.0      36.6
          76.0      10.4
          77.0       3.1
          78.0       1.0
          79.0       3.4
          80.0       4.3
          90.0       4.0
          91.0      15.7
          92.0      23.6
          93.0       2.7
         103.0       1.7
         107.0       1.3
         108.0      10.9
         118.0       4.3
         119.0       5.1
         120.0      33.4
         121.0       3.0
         122.0      15.7
         123.0       1.2
         136.0       1.1
         138.0       1.1
         148.0       6.4
         149.0       1.4
         151.0       1.2
         164.0       1.9
         168.0      50.7
         169.0       3.9
         182.0       2.0
         195.0       1.8
         196.0       2.3
         212.0      26.0
         213.0       2.2
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C7 H4 N2 O6 0.048 g : 0.5 ml DMSO-d6
    2,4-dinitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 8.778 C 8.586 D 8.118

         Hz     ppm     Int.
    

        789.62   8.817     34
        787.51   8.794    767
        785.31   8.769   1000
        774.87   8.652    499
        772.67   8.628    352
        769.10   8.588     36
        766.53   8.559    659
        764.24   8.534    564
        748.03   8.353     29
        730.53   8.157    982
        727.23   8.121     26
        722.19   8.064    677
        719.81   8.038     30
    

KBr disc

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nujol mull

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4880 A,150M,powder

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