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网站主页CAS数据库列表 121-03-9更多图谱4-硝基甲苯-2-磺酸(121-03-9)质谱(MS)

4-硝基甲苯-2-磺酸

产品名称 4-硝基甲苯-2-磺酸

CAS号121-03-9

分子式C7H7NO5S

分子量217.2

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  • Mass 

    MS-IW-3896          
2-methyl-5-nitrobenzenesulfonic acid
C7H7NO5S 2H2O       (Mass of molecular ion:    217)


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


          18.0       2.9
      27.0       1.8
      28.0       1.7
      30.0      10.1
      38.0       2.5
      39.0      16.6
      40.0       2.3
      41.0       1.4
      43.0       3.7
      45.0       1.7
      50.0       5.4
      51.0      15.5
      52.0       7.4
      53.0       5.9
      55.0       1.8
      61.0       1.9
      62.0       8.8
      63.0      36.4
      64.0       8.6
      65.0       5.4
      66.0       2.8
      67.0       1.8
      69.0       1.7
      74.0       2.6
      75.0       2.7
      76.0       1.9
      77.0      48.9
      78.0      16.7
      79.0       5.9
      81.0       1.4
      85.0       1.2
      86.0       2.2
      87.0       2.7
      88.0       1.7
      89.0      51.1
      90.0      11.4
      91.0       1.3
      94.0       2.0
      95.0       3.7
      97.0       6.0
     105.0      48.9
     106.0       9.5
     107.0       3.7
     108.0       1.0
     109.0       1.0
     121.0       1.0
     123.0      16.2
     124.0       1.4
     125.0       2.4
     135.0      34.0
     136.0       6.1
     151.0       1.4
     170.0       3.8
     171.0      13.3
     172.0       1.4
     181.0       1.4
     182.0      20.0
     183.0       2.0
     184.0       1.3
     187.0       2.3
     199.0       5.0
     200.0      16.9
     201.0       3.5
     202.0       1.1
     217.0     100.0
     218.0       9.3
     219.0       5.8

400 MHz in D2O


  • 1H NMR 399.65 MHz
    C7 H7 N O5 S 0.048 g : 0.5 ml D2O
    2-methyl-5-nitrobenzenesulfonic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.579
      B             8.150
      C             7.491
      E             2.698
     
     THE SOLVENT SIGNAL REMOVED.
  

         Hz     ppm     Int.


       3429.93   8.583    203
   3427.61   8.577    208
   3262.82   8.165    122
   3260.25   8.158    118
   3254.39   8.144    130
   3251.83   8.137    125
   2998.17   7.502    150
   2997.80   7.502    150
   2989.75   7.481    141
   2989.38   7.480    141
   1078.25   2.698   1000

in D2O



KBr disc



nujol mull



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