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4-甲基-3-硝基苯甲酸

CAS号96-98-0

分子式C8H7NO4

分子量181.15

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  • Mass

    MS-NW-9785          
    3-nitro-p-toluic acid
    C8H7NO4             (Mass of molecular ion:    181)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          17.0       1.4
          18.0       7.2
          27.0       1.5
          28.0       1.6
          30.0       1.3
          38.0       1.2
          39.0       8.1
          41.0       1.4
          43.0       2.1
          45.0       1.4
          50.0       1.9
          51.0       4.7
          52.0       1.9
          53.0       3.9
          55.0       1.8
          62.0       2.5
          63.0       8.8
          64.0       2.5
          65.0       9.4
          66.0       1.1
          67.0       1.6
          75.0       1.0
          77.0      18.3
          78.0       4.0
          79.0       5.5
          80.0       2.3
          81.0       1.1
          89.0      11.6
          90.0       6.2
          91.0       2.4
          92.0      15.4
          93.0       2.5
         105.0       4.0
         106.0       2.0
         107.0       7.8
         108.0       5.2
         117.0       2.0
         118.0      14.9
         119.0       3.8
         120.0       4.0
         123.0       1.1
         135.0       4.8
         136.0       6.3
         137.0       1.0
         146.0       2.5
         151.0       1.2
         164.0     100.0
         165.0       9.5
         166.0       1.1
         181.0      19.6
         182.0       1.9
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H7 N O4 0.040 g : 0.5 ml DMSO-d6
    3-nitro-p-toluic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.5 B 8.415 C 8.121 D 7.636 E 2.598

         Hz     ppm     Int.
    

       3364.03   8.418    298
       3362.32   8.414    291
       3250.56   8.134    155
       3248.85   8.130    144
       3242.87   8.115    169
       3240.95   8.110    163
       3055.68   7.646    191
       3047.56   7.626    173
       1038.50   2.599   1000
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder