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631-58-3

硫代丙酰胺(631-58-3)核磁图(1HNMR)

产品名称:硫代丙酰胺

CAS:631-58-3

分子式:C3H7NS

分子量: 89.16

InChI:InChI=1S/C3H7NS/c1-2-3(4)5/h2H2,1H3,(H2,4,5)

InChIKey: WPZSAUFQHYFIPG-UHFFFAOYSA-N

Smiles:C(N)(=S)CC

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    Mass

    MS-NW-2923          
    thiopropionamide
    C3H7NS              (Mass of molecular ion:     89)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.6
          18.0       1.8
          26.0       5.4
          27.0      10.2
          28.0      37.9
          29.0       7.1
          30.0       7.4
          32.0       3.3
          33.0       3.1
          34.0       6.4
          39.0       2.0
          40.0       1.5
          41.0       1.9
          42.0       4.2
          44.0       2.6
          45.0       6.4
          46.0       1.0
          47.0       1.2
          51.0       2.2
          52.0       3.7
          53.0       1.6
          54.0      17.8
          55.0       3.4
          56.0      28.1
          57.0       1.7
          58.0       1.5
          59.0       4.4
          60.0      68.7
          61.0       8.6
          62.0       3.3
          71.0       7.6
          72.0      10.3
          73.0       2.7
          74.0       1.4
          87.0       1.7
          88.0       5.2
          89.0     100.0
          90.0       4.8
          91.0       4.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C3 H7 N S 0.055 g : 0.5 ml CDCl3
    thiopropionamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.6 B 2.695 C 1.304

         Hz     ppm     Int.
    

        672.75   7.512     52
        253.25   2.828    125
        252.63   2.821    126
        250.38   2.796     25
        249.81   2.790     28
        245.25   2.739    441
        242.56   2.709     38
        237.75   2.655    495
        235.00   2.624     35
        233.63   2.609     29
        232.75   2.599     30
        230.75   2.577    171
        230.19   2.571    173
        123.75   1.382    553
        121.13   1.353     58
        120.25   1.343     57
        116.38   1.300   1000
        108.81   1.215    421
    

in CDCl3

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KBr disc

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