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o-Cresolsulfonic acid

Product Name o-Cresolsulfonic acid

CAS7134-04-5

MFC7H8O4S

MW188.2

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  • Mass 

    MS-IW-3690          
4-hydroxy-3-methylbenzenesulfonic acid
C7H8O4S             (Mass of molecular ion:    188)


       Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV


          17.0       1.9
      18.0       8.9
      27.0       4.1
      28.0       1.4
      38.0       2.3
      39.0      10.5
      40.0       1.2
      41.0       3.5
      43.0       1.9
      48.0       4.9
      50.0       6.1
      51.0      14.0
      52.0       8.1
      53.0       8.8
      54.0       1.4
      55.0       4.4
      62.0       2.3
      63.0       5.6
      64.0       5.3
      65.0       3.8
      66.0       2.3
      67.0       8.2
      69.0       1.1
      74.0       2.1
      75.0       1.4
      76.0       1.5
      77.0      37.6
      78.0      19.7
      79.0      15.5
      80.0      12.4
      81.0       2.1
      89.0       2.9
      90.0       4.4
      91.0       1.6
      94.0       3.8
      95.0       7.1
      98.0       1.0
     105.0      13.1
     106.0       6.3
     107.0      66.4
     108.0      25.9
     109.0       2.5
     123.0      33.7
     124.0       8.7
     155.0       1.1
     170.0       9.9
     171.0      10.5
     172.0       1.4
     187.0       5.1
     188.0     100.0
     189.0       9.1
     190.0       5.5
     278.0       2.4

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H8 O4 S 0.041 g : 0.5 ml DMSO-d6
    4-hydroxy-3-methylbenzenesulfonic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.9
      B             7.377
      C             7.313
      D             6.768
      E             2.125
  

         Hz     ppm     Int.


       3149.11   7.880     35
   2949.37   7.380    181
   2947.85   7.377    199
   2947.24   7.375    203
   2927.70   7.326    113
   2925.57   7.321     97
   2919.46   7.306    122
   2917.79   7.301    103
   2917.18   7.300    111
   2709.20   6.779    223
   2700.96   6.759    213
    849.30   2.126   1000
    842.59   2.109     34

in DMSO-d6



KBr disc



liquid film



nujol mull



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