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S-(N,N-二甲基硫代氨甲酰基)巯基乙酸

产品名称 S-(N,N-二甲基硫代氨甲酰基)巯基乙酸

CAS号4007-01-6

分子式C5H9NO2S2

分子量179.26

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  • Mass

    MS-IW-9732          
    ((N,N-dimethylthiocarbamoyl)thio)acetic acid
    C5H9NO2S2           (Mass of molecular ion:    179)
    

       Source Temperature: 150 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          15.0       2.2
          18.0       2.4
          28.0       1.9
          42.0       9.6
          43.0       2.0
          44.0      17.6
          45.0       4.6
          46.0       1.5
          47.0       3.8
          56.0       2.1
          59.0       1.6
          60.0       1.0
          61.0       1.0
          72.0       4.5
          73.0       7.4
          74.0       5.2
          76.0       2.1
          77.0       4.7
          88.0     100.0
          89.0       5.3
          90.0       4.8
         120.0       3.6
         179.0      32.0
         180.0       2.4
         181.0       3.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C5 H9 N O2 S2 0.040 g : 0.5 ml DMSO-d6
    ((N,N-dimethylthiocarbamoyl)thio)acetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.7 B 4.091 C *1 3.453 D *1 3.381

         Hz     ppm     Int.
    

       5090.01  12.737     45
       1635.31   4.092    947
       1380.16   3.454   1000
       1351.40   3.382    979
    

in DMSO-d6



KBr disc



nujol mull