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57-06-7

Allyl isothiocyanate

Product Name Allyl isothiocyanate

CAS57-06-7

MFC4H5NS

MW99.15

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  • 57-06-7_ms
    Mass

    MS-NW-5067          
    allyl isothiocyanate
    C4H5NS              (Mass of molecular ion:     99)
    

       Source Temperature: 280 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       2.1
          26.0       3.0
          27.0       5.5
          28.0       2.9
          32.0       2.4
          37.0       3.5
          38.0       6.7
          39.0      59.4
          40.0       7.5
          41.0     100.0
          42.0       3.8
          44.0       4.6
          45.0       7.2
          46.0       1.7
          54.0       1.6
          58.0       2.9
          59.0       4.4
          60.0       2.2
          67.0       1.8
          69.0       1.0
          70.0       3.6
          71.0       6.6
          72.0      25.3
          73.0       1.5
          74.0       1.2
          98.0       6.0
          99.0      97.9
         100.0       5.9
         101.0       4.6
    

90 MHz in CDCl3

  • 57-06-7_1hnmr

    1H NMR 89.56 MHz
    C4 H5 N S 0.04 ml : 0.5 ml CDCl3
    allyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.83 B 5.41 C 5.30 D 4.147

         Hz     ppm     Int.
    

        544.06   6.075     62
        539.38   6.023    118
        534.69   5.971     85
        534.19   5.965     89
        529.50   5.913    153
        527.25   5.888    116
        525.00   5.862     83
        522.63   5.836    216
        519.94   5.806     34
        518.06   5.785    164
        517.38   5.777    190
        512.81   5.726    347
        508.38   5.677    201
        492.50   5.500    198
        490.94   5.482    515
        489.69   5.468    638
        488.13   5.451    279
        480.06   5.361    244
        478.50   5.343    566
        477.25   5.329    419
        475.88   5.314    318
        474.13   5.294    332
        472.94   5.281    201
        472.44   5.276    197
        471.38   5.264    104
        470.31   5.252    116
        468.63   5.233    279
        467.44   5.220    355
        465.88   5.202    177
        375.13   4.189    524
        373.69   4.173   1000
        372.06   4.155    548
        370.63   4.139    539
        369.06   4.121    979
        367.38   4.103    507
    

in CDCl3

  • 57-06-7_13cnmr

liquid film

  • 57-06-7_ir1

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