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594-43-4

甲基磺酸乙脂(594-43-4)核磁图(13CNMR)

产品名称:甲基磺酸乙脂

CAS:594-43-4

分子式:C3H8O2S

分子量: 108.16

InChI:InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3

InChIKey: YBJCDTIWNDBNTM-UHFFFAOYSA-N

Smiles:CCS(C)(=O)=O

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    Mass

    MS-IW-8102          
    ethyl methyl sulfone
    C3H8O2S             (Mass of molecular ion:    108)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       7.0
          17.0       1.3
          18.0       5.9
          26.0       2.9
          27.0      29.9
          28.0       6.4
          29.0      77.6
          30.0       2.0
          31.0       3.8
          45.0       1.7
          47.0       1.1
          48.0       2.1
          50.0       1.9
          63.0       4.4
          64.0       1.8
          65.0      35.8
          67.0       1.7
          79.0       4.5
          80.0     100.0
          81.0       3.8
          82.0       5.2
          93.0      11.0
         108.0       9.2
         109.0       6.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C3 H8 O2 S 0.040 g : 0.05 ml CDCl3
    ethyl methyl sulfone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.056 B 2.906 C 1.424

         Hz     ppm     Int.
    

       1233.28   3.086     71
       1232.67   3.085     73
       1225.71   3.067    215
       1225.22   3.066    222
       1218.26   3.049    223
       1217.65   3.047    231
       1210.82   3.030     80
       1210.21   3.029     82
       1161.38   2.906   1000
       1160.89   2.905    764
        576.90   1.444    462
        569.34   1.425    893
        561.89   1.406    468
    

in CDCl3

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