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网站主页CAS数据库列表 2196-13-6更多图谱硫代异烟酰胺(2196-13-6)质谱(MS)

硫代异烟酰胺

产品名称 硫代异烟酰胺

CAS号2196-13-6

分子式C6H6N2S

分子量138.19

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  • Mass

    MS-NW-4781          
    thioisonicotinamide
    C6H6N2S             (Mass of molecular ion:    138)
    

       Source Temperature: 170 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       3.3
          26.0       2.5
          28.0       4.8
          32.0       1.3
          33.0       1.0
          34.0       1.9
          37.0       1.4
          38.0       1.7
          39.0       3.9
          45.0       2.2
          49.0       1.5
          50.0       8.7
          51.0      20.3
          52.0      13.9
          53.0       2.7
          59.0       1.0
          60.0      26.6
          62.0       1.5
          64.0       2.1
          66.0       1.1
          67.0       1.3
          69.0       3.2
          75.0       1.6
          76.0       3.8
          77.0       7.9
          78.0      18.2
          79.0      19.6
          80.0       1.3
          83.0       1.1
          84.0       1.2
          93.0       1.2
          95.0       1.0
         103.0       1.4
         104.0      14.5
         105.0      28.1
         106.0       2.6
         110.0       2.8
         111.0       2.7
         122.0      10.9
         137.0       4.8
         138.0     100.0
         139.0       8.6
         140.0       5.0
    

parameter in DMSO-d6


  • 1H NMR 300 MHz
    C6 H6 N2 S 30 % in DMSO
    thioisonicotinamide
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.94 D(B) 8.06 J(A,A') 0.4 J(A,B) 5.0 J(A,B') 0.8 J(A',B) 0.8 J(A',B') 5.0 J(B,B') 1.5 D(C) 10.4 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962) H(C):BROAD.

         Hz     ppm     Int.
    

       3120.01  10.400   1000
       2684.91   8.950    332
       2683.57   8.945    202
       2680.50   8.935    203
       2679.16   8.931    348
       2420.86   8.070    347
       2419.51   8.065    203
       2416.45   8.055    202
       2415.11   8.050    332
    

KBr disc



liquid film



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