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网站主页CAS数据库列表 1450-85-7更多图谱2-巯基哌啶(1450-85-7)核磁图(13CNMR)

2-巯基哌啶

产品名称 2-巯基哌啶

CAS号1450-85-7

分子式C4H4N2S

分子量112.15

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  • Mass

    MS-KW-0493          
    2-pyrimidinethiol
    C4H4N2S             (Mass of molecular ion:    112)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       4.6
          27.0       3.1
          33.0       1.2
          38.0       1.2
          39.0       1.0
          40.0       2.1
          44.0       1.6
          45.0       2.4
          51.0       3.1
          52.0      10.8
          53.0      15.2
          54.0       6.7
          56.0       2.2
          57.0       5.3
          58.0       8.4
          59.0      14.4
          60.0       5.1
          68.0      26.3
          69.0       1.1
          70.0       1.6
          79.0       5.3
          83.0       1.3
          84.0       7.5
          85.0      16.6
          86.0       5.3
         111.0      18.7
         112.0     100.0
         113.0       7.1
         114.0       4.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C4 H4 N2 S 0.023 g : 0.5 ml DMSO-d6
    2-pyrimidinethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.9 B 8.302 C 6.858 J(B,C)=4.3HZ

         Hz     ppm     Int.
    

       5548.52  13.884     72
       3343.51   8.367     34
       3342.45   8.364     37
       3341.81   8.362     39
       3340.95   8.360     42
       3339.45   8.356     48
       3320.22   8.308    998
       3315.95   8.298   1000
       3294.58   8.244     36
       3293.30   8.241     32
       2745.63   6.871    381
       2740.93   6.859    613
       2736.22   6.847    385
    

in DMSO-d6



KBr disc



nujol mull