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阿尔法,阿尔法,阿尔法位-三氟-间-甲苯异硫氰

产品名称 阿尔法,阿尔法,阿尔法位-三氟-间-甲苯异硫氰

CAS号1840-19-3

分子式C8H4F3NS

分子量203.18

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  • Mass

    MS-NW-7836          
    m-(trifluoromethyl)phenyl isothiocyanate
    C8H4F3NS            (Mass of molecular ion:    203)
    

       Source Temperature: 230 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          31.0       1.1
          37.0       1.4
          38.0       1.6
          39.0       1.8
          44.0       1.1
          45.0       1.0
          50.0       5.7
          51.0       2.8
          57.0       2.3
          62.0       1.3
          63.0       2.6
          64.0       1.5
          69.0       4.3
          70.0       1.9
          74.0       2.9
          75.0      10.3
          76.0       2.5
          76.5       1.2
          81.0       1.1
          88.0       1.3
          90.0       1.7
          94.0       1.1
          95.0       9.9
          99.0       1.7
         101.5       4.0
         102.0       1.1
         108.0       1.0
         119.0       1.4
         121.0       1.2
         125.0       4.9
         126.0       2.4
         134.0       1.4
         139.0       2.1
         145.0      51.7
         146.0       4.3
         152.0       1.5
         153.0       4.1
         159.0       1.7
         170.0       1.2
         183.0       1.0
         184.0       8.2
         202.0       3.3
         203.0     100.0
         204.0      10.5
         205.0       5.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H4 F3 N S 0.040 g : 0.5 ml CDCl3
    m-(trifluoromethyl)phenyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.51 B 7.48 C 7.433 D 7.373

         Hz     ppm     Int.
    

       3013.18   7.540     47
       3007.45   7.526    191
       3005.86   7.522    341
       3005.25   7.520    324
       3004.15   7.517    262
       3003.54   7.516    240
       2999.51   7.506    582
       2999.02   7.505    670
       2998.54   7.503    679
       2997.92   7.502    986
       2997.44   7.501   1000
       2996.34   7.498    721
       2995.61   7.496    913
       2994.87   7.494    889
       2994.26   7.493    656
       2991.46   7.486     99
       2988.16   7.477    655
       2987.43   7.476    905
       2986.82   7.474    712
       2983.28   7.465     79
       2982.54   7.463     77
       2980.22   7.458    287
       2979.61   7.456    389
       2978.88   7.454    314
       2973.02   7.440    450
       2972.29   7.438    630
       2971.56   7.436    771
       2970.83   7.434    942
       2970.21   7.433    917
       2969.60   7.431    739
       2968.63   7.429    657
       2968.02   7.427    455
       2962.77   7.414     53
       2960.82   7.409     60
       2959.72   7.406     54
       2957.89   7.402     48
       2956.91   7.399     39
       2951.78   7.386    430
       2951.29   7.385    462
       2950.20   7.382    544
       2949.58   7.381    643
       2948.12   7.377    367
       2947.39   7.375    332
       2944.21   7.367    318
       2943.85   7.367    340
       2942.14   7.362    510
       2940.55   7.358    275
       2940.06   7.357    262
    

in CDCl3



liquid film