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452-08-4

2-溴-4-氟苯甲醚(452-08-4)Raman光谱

产品名称:2-溴-4-氟苯甲醚

CAS:452-08-4

分子式:C7H6BrFO

分子量: 205.02

InChI:InChI=1S/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3

InChIKey: JIQXVIJARQLCOY-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C(F)C=C1Br

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    Mass

    MS-IW-9270          
    2-bromo-4-fluoroanisole
    C7H6BrFO            (Mass of molecular ion:    204)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.3
          28.0       2.9
          29.0       1.1
          31.0       4.5
          37.0       1.8
          38.0       1.8
          50.0       6.2
          51.0       2.1
          53.0       1.8
          55.0       1.8
          56.0       4.7
          57.0       6.3
          61.0       3.6
          62.0       3.8
          63.0       6.7
          68.0       3.4
          69.0       1.7
          73.0       1.1
          74.0       4.1
          75.0       9.1
          80.0       1.6
          81.0      13.4
          82.0      14.2
          83.0       2.4
          92.0       1.0
          93.0       3.3
          94.0      13.4
          95.0      10.8
          96.0       3.4
          97.0       2.2
         110.0      10.2
         111.0       4.4
         113.0       2.4
         125.0       1.0
         126.0       2.4
         135.0       2.0
         137.0       2.1
         161.0      44.4
         162.0       2.9
         163.0      43.8
         164.0       2.3
         173.0       2.7
         175.0       3.0
         189.0      60.1
         190.0       4.5
         191.0      58.6
         192.0       4.0
         204.0     100.0
         205.0       8.0
         206.0      97.4
         207.0       7.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H6 Br F O 0.05 ml : 0.5 ml CDCl3
    2-bromo-4-fluoroanisole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.275 B 6.966 C 6.810 D 3.837

         Hz     ppm     Int.
    

       2912.96   7.289    167
       2909.91   7.282    178
       2905.15   7.270    173
       2902.10   7.262    177
       2794.31   6.992     96
       2791.26   6.985     92
       2786.50   6.973    107
       2785.28   6.970    123
       2783.45   6.965    100
       2782.23   6.962    119
       2777.47   6.950    122
       2774.41   6.943    117
       2728.03   6.827    142
       2723.27   6.815    144
       2718.87   6.804    109
       2714.23   6.792    109
       1533.94   3.839   1000
    

in CDCl3

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liquid film

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