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4621-66-3

Thionicotinamide

Product Name Thionicotinamide

CAS4621-66-3

MFC6H6N2S

MW138.19

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  • 4621-66-3_ms_1
    Mass

    MS-NW-4678          
    thionicotinamide
    C6H6N2S             (Mass of molecular ion:    138)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       3.0
          18.0      13.0
          26.0       6.4
          27.0       2.5
          28.0       8.4
          32.0       4.3
          33.0       4.2
          34.0      10.0
          37.0       3.1
          38.0       3.9
          39.0       7.2
          40.0       1.1
          41.0       1.1
          45.0       3.7
          49.0       3.2
          50.0      18.3
          51.0      25.0
          52.0      18.4
          53.0       5.4
          57.0       1.2
          58.0       1.1
          59.0       1.3
          60.0      20.3
          61.0       1.1
          62.0       1.4
          64.0       2.1
          66.0       1.2
          67.0      10.4
          69.0       7.8
          70.0       1.4
          75.0       5.0
          76.0      11.0
          77.0      26.0
          78.0      29.0
          79.0      10.9
          83.0       1.8
          84.0       1.8
          93.0       1.9
          94.0       1.3
          95.0       2.4
         103.0       3.5
         104.0      46.7
         105.0      76.6
         106.0       5.9
         110.0       3.1
         111.0       3.4
         121.0       2.5
         122.0      13.6
         123.0       1.2
         137.0       5.2
         138.0     100.0
         139.0       8.3
         140.0       5.0
    

parameter in DMSO-d6

  • 4621-66-3_1hnmr_0

    1H NMR 300 MHz
    C6 H6 N2 S 30 % in DMSO
    thionicotinamide
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 9.27 D(B) 8.42 D(C) 7.62 D(D) 8.85 J(A,B) 2.4 J(A,C) 0.6 J(A,D) 0.3 J(B,C) 7.9 J(B,D) 2.3 J(C,D) 4.8 D(E) *1 7.4 D(F) *1 7.8 J(E,F) 0.0 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962) J(A,D) LESS THAN 0.3HZ.

         Hz     ppm     Int.
    

       2782.20   9.274    385
       2779.85   9.266    392
       2658.57   8.862    239
       2656.28   8.854    253
       2653.79   8.846    251
       2651.49   8.838    253
       2532.34   8.441    138
       2530.01   8.433    253
       2527.66   8.426    135
       2524.45   8.415    151
       2522.10   8.407    269
       2519.77   8.399    140
       2340.01   7.800   1000
       2292.17   7.641    198
       2287.34   7.624    196
       2284.51   7.615    192
       2279.68   7.599    181
       2219.99   7.400   1000
    

KBr disc

  • 4621-66-3_ir1_3

liquid film

  • 4621-66-3_ir2_2

nujol mull

  • 4621-66-3_ir3_1