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452-73-3

2-氯-4-氟甲苯(452-73-3)Raman光谱

产品名称:2-氯-4-氟甲苯

CAS:452-73-3

分子式:C7H6ClF

分子量: 144.57

InChI:InChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3

InChIKey: CSARJIQZOSVYHA-UHFFFAOYSA-N

Smiles:C1(C)=CC=C(F)C=C1Cl

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    Mass

    MS2015-05135CW      
    2-chloro-4-fluorotoluene
    C7H6ClF             (Mass of molecular ion:    144)
    

       Source Temperature: 250 °C
       Sample Temperature: 250 °C
       Reservoir, 70 eV
    

          39.0       1.3
          44.0       2.5
          50.0       1.5
          51.0       1.2
          54.0       2.2
          57.0       4.0
          61.0       1.4
          62.0       2.5
          63.0       3.0
          72.0       1.0
          73.0       1.0
          81.0       3.7
          83.0       8.0
          89.0       1.6
         107.0      15.7
         108.0       9.9
         109.0     100.0
         110.0       7.5
         117.0       2.4
         143.0      23.6
         144.0      45.5
         145.0      10.6
         146.0      14.4
         147.0       1.1
    

in DMSO-d6

400 MHz in CDCl3

parameter neat

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    1H NMR 399.65 MHz
    C7 H6 Cl F 0.05 ml : 0.5 ml CDCl3
    2-chloro-4-fluorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.111 B 7.043 C 6.831 D 2.287

         Hz     ppm     Int.
    

       2850.22   7.132    127
       2849.85   7.131    137
       2844.12   7.117    135
       2843.75   7.116    145
       2842.90   7.114    117
       2841.80   7.111    156
       2841.31   7.110    163
       2835.69   7.096    143
       2835.21   7.095    156
       2820.56   7.058    204
       2817.87   7.051    212
       2812.01   7.037    202
       2809.33   7.030    212
       2739.62   6.856    124
       2736.94   6.849    118
       2731.45   6.835    214
       2728.76   6.828    201
       2723.02   6.814    108
       2720.34   6.807    103
        914.18   2.288   1000
        913.82   2.287    948
        913.33   2.286    853
    

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    1H NMR 300 MHz
    C7 H6 Cl F neat
    2-chloro-4-fluorotoluene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.863 D(B) 6.670 D(C) 6.908 D(D) 2.151 J(A,B) 2.73 J(A,C) 0.25 J(A,D) 0.41 J(A,X) 8.39 J(B,C) 8.80 J(B,D) 0.39 J(B,X) 8.00 J(C,D) -0.75 J(C,X) 5.77 J(D,X) 1.28 ALBRIKTSEN,P. & HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)

         Hz     ppm     Int.
    

       2080.29   6.934     87
       2079.67   6.932     87
       2074.45   6.915     87
       2073.55   6.912    102
       2071.50   6.905    118
       2070.88   6.903    115
       2064.68   6.882    222
       2061.78   6.873    156
       2056.06   6.854    143
       2053.39   6.845    147
       2010.42   6.701     87
       2007.75   6.692     80
       2001.90   6.673    105
       2000.20   6.667     83
       1999.22   6.664     98
       1994.18   6.647     64
       1991.42   6.638     64
        645.55   2.152   1000
    

in DMSO-d6

in CDCl3

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liquid film

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