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2196-13-6

THIOISONICOTINAMIDE

Product Name THIOISONICOTINAMIDE

CAS2196-13-6

MFC6H6N2S

MW138.19

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  • 2196-13-6_ms
    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

  • 2196-13-6_1hnmr

    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

  • 2196-13-6_ir1_3

liquid film

  • 2196-13-6_ir2_2

nujol mull

  • 2196-13-6_ir3