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51087-03-7

THIONICOTINIC ACID

Product Name THIONICOTINIC ACID

CAS51087-03-7

MFC6H5NOS

MW139.18

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  • 51087-03-7_ms
    Mass

    MS-IW-4927          
    thionicotinic acid
    C6H5NOS             (Mass of molecular ion:    139)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.0
          27.0       1.6
          28.0       2.4
          38.0       1.4
          39.0       2.7
          43.0       2.0
          49.0       1.8
          50.0      10.0
          51.0      30.3
          52.0       3.9
          53.0       1.6
          75.0       1.1
          76.0       1.5
          77.0       2.0
          78.0      74.0
          79.0       4.5
         106.0     100.0
         107.0       7.5
         123.0       1.2
         126.0       1.3
         139.0       4.6
    

400 MHz in DMSO-d6

  • 51087-03-7_1hnmr

    1H NMR 399.65 MHz
    C6 H5 N O S 0.038 g : 0.5 ml DMSO-d6
    thionicotinic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.5 B 9.119 C 8.820 D 8.304 E 7.571 J(B,D)=2.1HZ J(B,E)=0.9HZ J(C,D)=1.7HZ J(C,E)=4.9HZ J(D,E)=7.9HZ

         Hz     ppm     Int.
    

       5387.40  13.481     53
       3652.93   9.141     32
       3646.31   9.124    939
       3645.45   9.122    996
       3644.17   9.119   1000
       3643.31   9.117    889
       3633.48   9.092     30
       3533.91   8.843     36
       3528.57   8.830    736
       3526.86   8.825    777
       3523.65   8.817    765
       3521.94   8.813    735
       3516.17   8.799     40
       3331.76   8.337     36
       3330.05   8.333     49
       3329.41   8.331     52
       3325.35   8.321    468
       3323.64   8.317    661
       3321.51   8.312    480
       3317.45   8.301    516
       3315.74   8.297    665
       3315.31   8.296    643
       3313.60   8.292    458
       3308.47   8.279     34
       3032.60   7.589    521
       3031.75   7.587    508
       3027.90   7.577    511
       3027.05   7.575    498
       3024.70   7.569    540
       3023.84   7.567    509
       3019.78   7.557    476
       3018.93   7.554    456
    

in DMSO-d6

  • 51087-03-7_13cnmr

KBr disc

  • 51087-03-7_ir1_2

nujol mull

  • 51087-03-7_ir2