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Back ChemicalBook Home>CAS DataBase List>88-61-9More Spectrum> 2,4-Dimethylbenzenesulfonic acid(88-61-9) 1H NMR

88-61-9

2,4-Dimethylbenzenesulfonic acid(88-61-9) 1H NMR

Molecular FormulaC8H10O3S

Molecular Weight186.23

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

InChIKey CHZLVSBMXZSPNN-UHFFFAOYSA-N

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

  • 2,4-Dimethylbenzenesulfonic acid(88-61-9) <sup>1</sup>H NMR
    Mass

    MS-NW-0216          
    m-xylene-4-sulfonic acid
    C8H10O3S 2H2O       (Mass of molecular ion:    186)
    

       Source Temperature: 180 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          17.0       2.0
          18.0       9.8
          27.0       5.8
          38.0       1.4
          39.0      11.1
          40.0       1.1
          41.0       2.5
          44.5       1.0
          50.0       4.2
          51.0      11.9
          52.0       4.1
          53.0       4.9
          61.5       2.2
          63.0       8.7
          64.0       2.1
          65.0       6.1
          74.0       1.8
          75.0       1.7
          76.0       1.9
          77.0      30.6
          78.0      26.4
          78.0       2.6
          79.0      13.5
          79.0       1.3
          89.0       3.3
          90.0       1.0
          91.0       7.3
          91.0       1.2
          92.0       1.9
          93.0       1.6
         102.0       3.7
         103.0      34.0
         103.0       3.0
         104.0     100.0
         104.0      23.2
         105.0      22.5
         105.0      20.2
         106.0       2.5
         106.0       2.3
         107.0       3.4
         120.0      15.3
         120.0       3.6
         121.0      12.7
         122.0       3.7
         150.0       4.3
         151.0       7.9
         152.0       1.1
         168.0       2.8
         169.0       1.1
         186.0      78.4
         187.0       8.2
         188.0       4.1
    

90 MHz in D2O

400 MHz in DMSO-d6

  • 2,4-Dimethylbenzenesulfonic acid(88-61-9) <sup>1</sup>H NMR

    1H NMR 89.56 MHz
    C8 H10 O3 S 0.057 g : 0.5 ml D2O
    m-xylene-4-sulfonic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.768 B 7.17 C 7.15 E 2.602 F 2.312 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        700.25   7.819    125
        692.38   7.731    165
        642.06   7.170    370
        634.44   7.084     96
        233.06   2.603   1000
        207.13   2.313    946
    

  • 2,4-Dimethylbenzenesulfonic acid(88-61-9) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C8 H10 O3 S 0.041 g : 0.5 ml DMSO-d6
    m-xylene-4-sulfonic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.628 B 6.994 C 6.960 D 2.495 E 2.254

         Hz     ppm     Int.
    

       3052.49   7.638    198
       3044.68   7.619    210
       2795.29   6.995    196
       2786.01   6.972    103
       2785.52   6.970    104
       2778.20   6.952     91
       2777.59   6.951     94
       2777.10   6.949     91
       2776.49   6.948     87
        997.19   2.496   1000
        901.12   2.255    938
    

in DMSO-d6

in D2O

  • 2,4-Dimethylbenzenesulfonic acid(88-61-9) <sup>1</sup>H NMR

  • 2,4-Dimethylbenzenesulfonic acid(88-61-9) <sup>1</sup>H NMR

KBr disc

  • 2,4-Dimethylbenzenesulfonic acid(88-61-9) <sup>1</sup>H NMR

nujol mull

  • 2,4-Dimethylbenzenesulfonic acid(88-61-9) <sup>1</sup>H NMR

2,4-Dimethylbenzenesulfonic acid(88-61-9) 1H NMR Atlas of Related Products

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