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网站主页CAS数据库列表 2637-34-5更多图谱2-吡啶硫酮(2637-34-5)核磁图(1HNMR)

2-吡啶硫酮

产品名称 2-吡啶硫酮

CAS号2637-34-5

分子式C5H5NS

分子量111.16

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  • Mass

    MS-NW-4633          
    2(1H)-pyridinethione
    C5H5NS              (Mass of molecular ion:    111)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.8
          26.0       2.9
          27.0       5.1
          28.0       3.5
          37.0       2.8
          38.0       4.5
          39.0      21.3
          40.0       3.3
          41.0       3.8
          44.0       1.5
          45.0       6.0
          49.0       1.7
          50.0       8.7
          51.0      27.0
          52.0       9.7
          53.0       1.4
          55.0       2.7
          57.0       6.5
          58.0       7.1
          59.0       1.6
          60.0       1.5
          64.0       1.0
          66.0       1.4
          67.0     100.0
          68.0       4.7
          69.0       4.0
          70.0       1.4
          75.0       1.3
          76.0       1.5
          78.0      35.0
          79.0       3.5
          81.0       2.0
          82.0       3.8
          83.0      10.2
          84.0       6.7
          85.0       1.2
         110.0      13.0
         111.0      99.5
         112.0       7.0
         113.0       5.0
         155.0       1.6
         156.0       4.6
         187.0       2.1
         220.0       2.1
    

400 MHz in DMSO-d6

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H5 N S 0.038 g : 0.5 ml DMSO-d6
    2(1H)-pyridinethione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.5 B 7.671 C 7.429 D 7.310 E 6.770 J(B,E)=5.8HZ

         Hz     ppm     Int.
    

       5397.45  13.506     94
       3068.72   7.679    445
       3062.95   7.665    456
       3052.69   7.639     30
       2978.54   7.453    444
       2976.83   7.449    432
       2971.70   7.436    506
       2969.78   7.431   1000
       2968.07   7.427    659
       2962.94   7.414    669
       2961.23   7.410    627
       2956.96   7.399     30
       2925.33   7.320    998
       2916.79   7.299    715
       2713.15   6.789    478
       2711.86   6.786    515
       2706.10   6.772    797
       2705.45   6.770    810
       2699.90   6.756    463
       2698.62   6.753    472
    


  • 1H NMR 89.56 MHz
    C5 H5 N S 0.041 g : 0.5 ml CDCl3
    2(1H)-pyridinethione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.7 B 6.808 C 7.42 D 7.57 E 7.68

         Hz     ppm     Int.
    

        687.94   7.682    517
        682.44   7.620    828
        675.56   7.544    940
        674.94   7.537    994
        674.56   7.532   1000
        674.19   7.528    999
        673.19   7.517    818
        672.25   7.507    743
        670.56   7.488    498
        669.00   7.470    172
        665.69   7.433    670
        664.00   7.415    500
        662.00   7.392    152
        658.94   7.358    131
        658.50   7.353    132
        657.13   7.338    228
        655.31   7.317    184
        617.63   6.897    401
        615.94   6.878    314
        614.50   6.862    157
        611.25   6.826    611
        609.63   6.807    487
        607.56   6.784    122
        604.75   6.753    276
        603.06   6.734    216
    

in CDCl3



KBr disc



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