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Back ChemicalBook Home>CAS DataBase List>68-11-1More Spectrum> Mercaptoacetic acid(68-11-1) MS

Mercaptoacetic acid(68-11-1) MS

Product NameMercaptoacetic acid

CAS68-11-1

Molecular FormulaC2H4O2S

Molecular Weight92.12

InChIInChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)

InChIKey CWERGRDVMFNCDR-UHFFFAOYSA-N

SmilesC(O)(=O)CS


  • Mass

    MS-NW-3090          
    mercaptoacetic acid
    C2H4O2S             (Mass of molecular ion:     92)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          13.0       1.2
          14.0       4.3
          15.0       2.1
          17.0       4.7
          18.0      20.7
          28.0       7.2
          29.0       4.8
          31.0       3.4
          32.0       3.6
          33.0       3.6
          34.0       2.8
          36.0       1.9
          41.0       2.0
          42.0      12.1
          43.0       6.0
          44.0      18.1
          45.0      41.0
          46.0      47.3
          47.0     100.0
          48.0       7.8
          49.0       4.7
          60.0       4.3
          64.0       2.3
          74.0      18.2
          75.0       1.7
          76.0       3.5
          78.0       4.6
          92.0      59.7
          93.0       2.0
          94.0       3.0
         106.0      13.5
         108.0       1.2
         110.0       2.2
         120.0       1.0
         148.0       4.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C2 H4 O2 S 0.05 ml : 0.5 ml CDCl3
    mercaptoacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.397 B 3.320 C 2.082

         Hz     ppm     Int.
    

        841.59   9.397    553
        301.98   3.372    809
        293.60   3.279   1000
        194.23   2.169    371
        186.19   2.079    442
        185.60   2.073    312
        177.56   1.983    279
    

in CDCl3



liquid film





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