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Back ChemicalBook Home>CAS DataBase List>98-69-1More Spectrum> 4-Ethylbenzenesulfonic acid(98-69-1) IR2

4-Ethylbenzenesulfonic acid(98-69-1) IR2

Molecular FormulaC8H10O3S

Molecular Weight186.23

InChIInChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)

InChIKey BRIXOPDYGQCZFO-UHFFFAOYSA-N

SmilesC1(S(O)(=O)=O)=CC=C(CC)C=C1


  • Mass

    MS-NW-4866          
    p-ethylbenzenesulfonic acid
    C8H10O3S            (Mass of molecular ion:    186)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          27.0       4.9
          38.0       1.4
          39.0       7.9
          41.0       1.3
          48.0       1.0
          50.0       6.7
          51.0      11.5
          52.0       3.1
          53.0       3.1
          62.0       2.9
          63.0       8.4
          64.0       2.6
          65.0       4.0
          74.0       3.0
          75.0       2.8
          76.0       2.7
          77.0      28.5
          78.0       9.0
          79.0      13.2
          81.0       1.9
          89.0       9.0
          90.0       6.1
          91.0       3.9
          93.0       1.1
          94.0       1.0
         102.0       2.2
         103.0      11.6
         104.0       9.2
         105.0     100.0
         106.0       9.3
         107.0      32.2
         108.0       2.5
         171.0      23.8
         172.0       2.1
         173.0       1.4
         186.0      29.7
         187.0       3.1
         188.0       1.7
    

KBr disc



liquid film



nujol mull



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