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网站主页CAS数据库列表 534-52-1更多图谱4,6-二硝基邻甲酚(534-52-1)红外图谱(IR1)

4,6-二硝基邻甲酚

产品名称 4,6-二硝基邻甲酚

CAS号534-52-1

分子式C7H6N2O5

分子量198.13

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  • Mass

    MS-NW-0188          
    4,6-dinitro-o-cresol
    C7H6N2O5            (Mass of molecular ion:    198)
    

       Source Temperature: 150 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          27.0       5.3
          28.0       1.9
          29.0       1.2
          30.0      13.3
          37.0       1.3
          38.0       3.1
          39.0      13.6
          40.0       2.2
          41.0       1.0
          43.0       4.0
          50.0      11.1
          51.0      26.3
          52.0      11.2
          53.0      17.6
          54.0       1.1
          55.0       1.8
          61.0       1.0
          62.0       3.0
          63.0       5.4
          64.0       3.2
          65.0       7.5
          66.0       4.9
          67.0       9.7
          68.0       1.8
          69.0       1.7
          74.0       3.7
          75.0       3.3
          76.0       5.0
          77.0      10.8
          78.0       4.9
          79.0       2.8
          80.0       1.2
          92.0       1.1
          93.0       8.7
          94.0       2.3
         104.0       2.4
         105.0      27.4
         106.0      14.9
         107.0       4.9
         121.0      22.8
         122.0       2.8
         134.0       2.3
         151.0       1.0
         152.0       3.0
         168.0       8.2
         180.0       1.3
         181.0       1.7
         182.0       1.8
         198.0     100.0
         199.0       9.1
         200.0       1.4
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H6 N2 O5 0.041 g : 0.5 ml DMSO-d6
    4,6-dinitro-o-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.569 B 8.350 C 5.1 D 2.335

         Hz     ppm     Int.
    

       3426.15   8.573    218
       3423.34   8.566    233
       3338.99   8.355    167
       3338.26   8.353    190
       3336.18   8.348    175
       3335.33   8.346    180
       2045.53   5.119     43
        933.35   2.336   1000
    


  • 1H NMR 89.56 MHz
    C7 H6 N2 O5 0.035 g : 0.5 ml DMSO-d6
    4,6-dinitro-o-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.0 B 8.574 C 8.358 D 2.336 J(B,C)=2.9HZ J(B,D)=0.6HZ J(C,D)=0.9HZ

         Hz     ppm     Int.
    

        804.69   8.985     32
        770.00   8.598    169
        769.44   8.592    175
        767.13   8.566    227
        766.56   8.560    240
        763.75   8.528     33
        750.44   8.380    193
        749.56   8.370    209
        747.56   8.348    166
        746.69   8.338    165
        214.88   2.400     33
        214.56   2.396     33
        210.06   2.346    710
        209.31   2.338   1000
        208.69   2.331    759
        203.88   2.277     47
        202.81   2.265     34
        202.06   2.257     29
    

KBr disc



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