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网站主页CAS数据库列表 88-61-9更多图谱2,4-二甲基苯磺酸(88-61-9)核磁图(1HNMR)

2,4-二甲基苯磺酸

产品名称 2,4-二甲基苯磺酸

CAS号88-61-9

分子式C8H10O3S

分子量186.23

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  • 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


  • 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
    


  • 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





KBr disc



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