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609-54-1

2,5-二甲苯磺酸(二水物)(609-54-1)红外图谱(IR1)

分子式:C8H10O3S

分子量: 186.23

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

InChIKey: IRLYGRLEBKCYPY-UHFFFAOYSA-N

Smiles:C1(S(O)(=O)=O)=CC(C)=CC=C1C

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    Mass

    MS-NW-4615          
    p-xylene-2-sulfonic acid
    C8H10O3S 2H2O       (Mass of molecular ion:    186)
    

       Source Temperature: 180 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       5.1
          27.0       4.2
          28.0       1.2
          39.0       6.1
          41.0       1.1
          50.0       2.6
          51.0       7.6
          52.0       2.3
          53.0       3.2
          62.0       1.2
          63.0       3.8
          65.0       3.3
          77.0      17.4
          78.0      18.8
          79.0       9.0
          89.0       1.6
          91.0       3.3
         102.0       1.8
         103.0      21.4
         104.0     100.0
         105.0      26.9
         106.0       2.4
         107.0       1.2
         120.0       1.2
         121.0       1.6
         186.0      34.0
         187.0       3.4
         188.0       1.8
    

KBr disc

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liquid film

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