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2-苯基乙基异硫代氰酸酯

CAS号2257-09-2

分子式C9H9NS

分子量163.24

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  • Mass

    MS-NW-8978          
    phenethyl isothiocyanate
    C9H9NS              (Mass of molecular ion:    163)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.3
          39.0       4.0
          50.0       2.0
          51.0       5.9
          52.0       1.4
          63.0       2.9
          65.0       9.8
          72.0       4.4
          77.0       9.2
          78.0       3.1
          79.0       4.5
          89.0       2.1
          91.0     100.0
          92.0       7.8
         102.0       2.0
         103.0       4.9
         104.0       2.8
         105.0      19.0
         106.0       1.7
         135.0       1.0
         163.0      44.3
         164.0       5.1
         165.0       2.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H9 N S 0.05 ml : 0.5 ml CDCl3
    phenethyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.310 B 7.254 C 7.185 D 3.657 E 2.931

         Hz     ppm     Int.
    

       2931.88   7.337    122
       2930.42   7.333    207
       2928.83   7.329    103
       2925.42   7.320    151
       2923.58   7.316    505
       2922.00   7.312    330
       2917.48   7.301    209
       2916.14   7.297    455
       2905.76   7.271    131
       2904.30   7.268    260
       2902.83   7.264    176
       2899.41   7.255     87
       2896.97   7.249    280
       2894.29   7.243     75
       2891.11   7.235     61
       2889.65   7.231     90
       2888.31   7.228     64
       2886.35   7.223     30
       2876.34   7.198    476
       2874.76   7.194    509
       2872.68   7.188    152
       2868.16   7.177    363
       2867.68   7.176    373
       2866.82   7.174    326
       1468.51   3.675    524
       1461.55   3.658   1000
       1454.59   3.640    549
       1178.34   2.949    357
       1171.39   2.932    637
       1164.43   2.914    329
    

in CDCl3



liquid film