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Back ChemicalBook Home>CAS DataBase List>4920-77-8More Spectrum> 3-Methyl-2-nitrophenol(4920-77-8) 13C NMR

3-Methyl-2-nitrophenol(4920-77-8) 13C NMR

Molecular FormulaC7H7NO3

Molecular Weight153.14

InChIInChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3

InChIKey QIORDSKCCHRSSD-UHFFFAOYSA-N

SmilesC1(O)=CC=CC(C)=C1[N+]([O-])=O


  • Mass

    MS-NW-6693          
    2-nitro-m-cresol
    C7H7NO3             (Mass of molecular ion:    153)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       2.1
          26.0       3.6
          27.0      16.5
          28.0       9.2
          29.0       5.1
          30.0       8.0
          31.0       1.8
          37.0       5.1
          38.0      10.7
          39.0      49.9
          40.0       4.8
          41.0      10.1
          42.0       1.0
          43.0       3.1
          49.0       1.9
          50.0      16.8
          51.0      43.2
          52.0      67.9
          53.0      53.7
          54.0       4.2
          55.0       9.0
          61.0       2.9
          62.0       6.0
          63.0      16.4
          64.0       7.3
          65.0      16.8
          66.0       6.7
          67.0       6.6
          68.0       2.3
          74.0       3.6
          75.0       3.0
          76.0       4.1
          77.0      86.2
          78.0      48.8
          79.0      33.4
          80.0      30.4
          81.0      34.8
          82.0       2.7
          89.0       1.0
          90.0       7.6
          91.0       7.1
          92.0       3.8
          93.0       2.1
          94.0       2.1
          95.0       2.6
         105.0      12.3
         106.0      35.7
         107.0       7.0
         108.0      22.0
         109.0       6.7
         118.0       1.4
         120.0       1.9
         121.0       1.0
         123.0       2.1
         135.0       1.6
         136.0      96.5
         137.0       9.1
         153.0     100.0
         154.0       8.4
         155.0       1.0
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H7 N O3 0.036 g : 0.5 ml CDCl3
    2-nitro-m-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.1 B 7.282 C 6.897 D 6.724 E 2.491 J(B,C)=8.4HZ J(B,D)=7.6HZ J(C,D)=1.4HZ J(C,E)=-0.5HZ J(D,E)=-0.8HZ

         Hz     ppm     Int.
    

       4040.99  10.112    710
       2918.40   7.303    212
       2910.77   7.284    282
       2910.31   7.283    284
       2902.53   7.263    229
       2761.23   6.910    217
       2760.62   6.908    251
       2759.70   6.906    236
       2759.25   6.905    214
       2752.23   6.887    218
       2751.31   6.885    207
       2750.85   6.884    192
       2692.26   6.737    194
       2691.50   6.735    232
       2690.73   6.733    232
       2689.97   6.731    188
       2684.63   6.718    167
       2683.87   6.716    208
       2683.26   6.715    213
       2682.50   6.713    176
        995.79   2.492   1000
    


  • 1H NMR 89.56 MHz
    C7 H7 N O3 0.048 g : 0.5 ml CDCl3
    2-nitro-m-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.27 B 7.35 C 6.998 D 6.823 E 2.612

         Hz     ppm     Int.
    

        920.07  10.274    483
        667.90   7.458     75
        660.50   7.375    104
        659.55   7.365    129
        652.22   7.283    163
        631.20   7.048     94
        630.62   7.042    103
        629.59   7.030    138
        629.08   7.025    130
        622.71   6.953     67
        622.19   6.948     75
        621.17   6.936     76
        620.65   6.930     72
        616.11   6.880     41
        615.38   6.872    104
        614.58   6.863    129
        613.77   6.854    115
        613.04   6.846     86
        612.30   6.837     36
        608.06   6.790     77
        607.25   6.781     97
        606.45   6.772     90
        605.64   6.763     68
        233.94   2.613   1000
    

in CDCl3



KBr disc



liquid film



nujol mull





3-Methyl-2-nitrophenol(4920-77-8) 13C NMR Atlas of Related Products

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