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S-硫代苯甲酰巯基乙酸

产品名称 S-硫代苯甲酰巯基乙酸

CAS号942-91-6

分子式C9H8O2S2

分子量212.29

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  • Mass

    MS2014-05087CW      
    (thiobenzoylthio)acetic acid
    C9H8O2S2            (Mass of molecular ion:    212)
    

       Source Temperature: 245 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          18.0       1.6
          45.0       2.1
          50.0       1.9
          51.0       6.7
          69.0       3.3
          77.0      23.2
          78.0       1.7
          93.0       1.7
         105.0       7.0
         121.0     100.0
         122.0       8.6
         123.0       4.7
         179.0       2.6
         212.0      11.9
         213.0       1.4
         214.0       1.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C9 H8 O2 S2 0.045 g : 0.5 ml CDCl3
    (thiobenzoylthio)acetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.01 B 8.02 C 7.50 D 7.39 E 4.273

         Hz     ppm     Int.
    

        989.59  11.050     35
        987.88  11.031     47
        987.28  11.024     50
        986.25  11.013     54
        985.57  11.005     53
        723.84   8.083    143
        722.39   8.066    167
        720.42   8.044     77
        718.03   8.018     59
        715.81   7.993    201
        715.04   7.984    101
        714.01   7.973    203
        713.16   7.963     73
        678.04   7.571     73
        677.44   7.565     80
        675.05   7.538     38
        672.83   7.513    100
        671.12   7.494    169
        668.90   7.469    188
        668.21   7.462    234
        666.67   7.444     99
        663.60   7.410     69
        662.40   7.397     77
        660.95   7.380    190
        660.27   7.373    122
        658.81   7.357     32
        656.16   7.327     33
        654.63   7.310     56
        653.94   7.302     45
        652.23   7.283     40
        382.73   4.274   1000
    

in CDCl3



KBr disc



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