609-54-1

2,5-Dimethylbenzenesulfonic acid dihydrate(609-54-1) MS

Product Name2,5-Dimethylbenzenesulfonic acid dihydrate

CAS 609-54-1

Molecular FormulaC8H10O3S

Molecular Weight186.23

InChIInChI=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

SmilesC1(S(O)(=O)=O)=CC(C)=CC=C1C

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¹HNMR

IR1

IR2

2,5-Dimethylbenzenesulfonic acid dihydrate(609-54-1) MS
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