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2-甲基-3-硝基苯酚

产品名称 2-甲基-3-硝基苯酚

CAS号5460-31-1

分子式C7H7NO3

分子量153.14

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  • Mass

    MS-IW-9258          
    3-nitro-o-cresol
    C7H7NO3             (Mass of molecular ion:    153)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       2.8
          26.0       1.7
          27.0       9.2
          28.0       8.4
          29.0       2.2
          30.0       2.3
          37.0       1.7
          38.0       4.2
          39.0      32.1
          40.0       2.5
          41.0       6.6
          43.0       2.4
          50.0       9.8
          51.0      25.4
          52.0      18.6
          53.0      33.4
          54.0       2.5
          55.0       7.2
          61.0       1.2
          62.0       3.1
          63.0       9.1
          64.0       2.5
          65.0       5.0
          66.0       3.0
          67.0      10.8
          68.0       3.8
          74.0       2.8
          75.0       2.5
          76.0       2.3
          77.0      75.9
          78.0      24.5
          79.0      22.3
          80.0      25.5
          81.0      10.2
          89.0       1.1
          90.0       2.3
          91.0       1.5
          92.0       1.4
          94.0       2.8
          95.0       1.1
         105.0       7.7
         106.0       5.3
         107.0       9.3
         108.0      32.1
         109.0       5.1
         121.0       1.1
         123.0       1.3
         136.0     100.0
         137.0       9.2
         153.0      64.3
         154.0       5.7
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H7 N O3 0.038 g : 0.5 ml DMSO-d6
    3-nitro-o-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.35 B 7.320 C 7.241 D 7.151 E 2.250

         Hz     ppm     Int.
    

       4138.64  10.356    476
       2931.06   7.335     87
       2929.84   7.332     98
       2923.13   7.315    147
       2921.75   7.311    152
       2901.92   7.262     87
       2893.83   7.241    163
       2885.74   7.221     83
       2861.94   7.162    132
       2860.72   7.159    139
       2854.00   7.142     90
       2852.63   7.138     89
        899.20   2.250   1000
    


  • 1H NMR 89.56 MHz
    C7 H7 N O3 0.047 g : 0.5 ml DMSO-d6
    3-nitro-o-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.3 B 7.30 C 7.24 D 7.15 E 2.247

         Hz     ppm     Int.
    

        923.58  10.313    315
        659.03   7.359     39
        657.64   7.344     23
        655.00   7.314    135
        651.86   7.279    168
        647.75   7.233    223
        643.07   7.181    167
        640.58   7.153    116
        639.77   7.144    111
        637.28   7.116     32
        636.18   7.104     51
        632.59   7.064     24
        201.34   2.249   1000
        194.97   2.177     28
        194.09   2.168     24
    

KBr disc



nujol mull



4880 A,200 M,powder