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(2-苯并噻唑硫代)乙酸

产品名称 (2-苯并噻唑硫代)乙酸

CAS号6295-57-4

分子式C9H7NO2S2

分子量225.29

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  • Mass

    MS-KW-0078          
    (2-benzothiazolylthio)acetic acid
    C9H7NO2S2           (Mass of molecular ion:    225)
    

       Source Temperature: 160 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          17.0       1.6
          18.0       8.0
          28.0       4.1
          31.0       1.1
          32.0       1.2
          34.0       1.8
          37.0       1.4
          38.0       2.9
          39.0       8.0
          42.0       2.2
          44.0      16.4
          45.0      25.4
          46.0       2.8
          47.0       1.7
          50.0       5.0
          51.0       4.9
          52.0       1.7
          54.0       1.1
          57.0       1.9
          58.0       6.0
          59.0       1.0
          60.0       1.8
          61.0       1.4
          62.0       3.0
          63.0      13.7
          64.0       6.5
          65.0       3.1
          69.0      21.6
          70.0       3.6
          71.0       1.9
          74.0       2.4
          75.0       4.4
          76.0       4.9
          77.0       7.2
          78.0       3.3
          81.0       3.0
          82.0       9.1
          83.0       1.7
          83.5       1.6
          84.0       2.0
          89.5       1.8
          90.0       8.9
          90.5       2.0
          91.0       6.2
          93.0       1.8
          94.0       1.6
          95.0       3.4
          96.0       4.4
         102.0       9.0
         103.0       5.4
         104.0       3.8
         106.0       1.0
         107.0       3.8
         108.0      49.3
         109.0      12.1
         110.0       3.1
         112.5       1.6
         116.0       4.1
         117.0       1.7
         120.0       1.0
         121.0       3.8
         122.0      15.8
         123.0       4.1
         124.0       1.2
         133.0       3.9
         134.0       4.4
         135.0      37.1
         136.0      34.0
         137.0       4.5
         138.0       1.8
         139.0       3.2
         140.0       2.0
         146.0       1.1
         148.0      62.7
         149.0      21.2
         150.0       4.8
         151.0       2.7
         163.0       1.3
         165.0       1.8
         166.0      20.2
         167.0      18.7
         168.0       3.8
         169.0       1.8
         178.0       2.9
         179.0      37.2
         180.0      48.9
         181.0     100.0
         182.0      14.9
         183.0       9.5
         184.0       1.0
         207.0      10.1
         208.0       1.9
         209.0       1.1
         225.0      50.2
         226.0       6.8
         227.0       5.2
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H7 N O2 S2 0.036 g : 0.5 ml DMSO-d6
    (2-benzothiazolylthio)acetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 8.021 C 7.855 D 7.473 E 7.376 F 4.272

         Hz     ppm     Int.
    

       3210.39   8.034    155
       3209.75   8.032    170
       3209.11   8.030    169
       3202.27   8.013    172
       3201.84   8.012    174
       3200.99   8.010    167
       3144.36   7.868    158
       3143.72   7.867    173
       3143.29   7.866    166
       3136.24   7.848    176
       3135.60   7.846    193
       3135.17   7.845    176
       2995.42   7.496     86
       2994.14   7.492     88
       2987.94   7.477    145
       2987.09   7.475    171
       2980.04   7.457    114
       2978.76   7.454    104
       2955.04   7.395    120
       2953.75   7.391    121
       2946.92   7.374    178
       2939.65   7.356     87
       2938.58   7.353     76
       1707.55   4.273   1000
    

in DMSO-d6