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628-30-8

异氰酸丙酯(628-30-8)Raman光谱

产品名称:异氰酸丙酯

CAS:628-30-8

分子式:C4H7NS

分子量: 101.17

InChI:InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3

InChIKey: KKASGUHLXWAKEZ-UHFFFAOYSA-N

Smiles:C(N=C=S)CC

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    Mass

    MS-NW-7773          
    propyl isothiocyanate
    C4H7NS              (Mass of molecular ion:    101)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       3.3
          26.0       5.1
          27.0      44.1
          28.0       6.9
          29.0       6.5
          30.0       1.1
          32.0       2.8
          37.0       1.5
          38.0       2.9
          39.0      18.7
          40.0       4.8
          41.0      54.5
          42.0      26.7
          43.0      65.8
          44.0       5.0
          45.0      12.4
          46.0       2.4
          57.0       1.0
          58.0       3.4
          59.0       8.9
          60.0      10.3
          70.0       2.9
          71.0       3.2
          72.0      49.4
          73.0       4.8
          74.0       2.8
          86.0       2.3
         100.0       3.4
         101.0     100.0
         102.0       6.1
         103.0       4.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H7 N S 0.05 ml : 0.5 ml CDCl3
    propyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.498 B 1.732 C 1.040

         Hz     ppm     Int.
    

        320.00   3.574    374
        318.13   3.553     64
        317.50   3.546     65
        313.63   3.502    749
        310.50   3.467     60
        307.00   3.428    434
        174.19   1.945     34
        173.56   1.938     33
        166.19   1.856    135
        164.50   1.837     41
        159.88   1.786    241
        153.38   1.713    219
        152.63   1.705    259
        149.38   1.668     54
        145.81   1.629    189
        144.88   1.618    127
        139.44   1.557     54
        138.56   1.548     49
        100.00   1.117    395
         99.31   1.109    568
         92.44   1.033   1000
         88.06   0.984     74
         85.50   0.955    253
         84.75   0.947    345
         83.81   0.936    191
    

in CDCl3

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liquid film

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