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60811-21-4

3-氯-4-氟溴苯(60811-21-4)核磁图(1HNMR)

产品名称:3-氯-4-氟溴苯

CAS:60811-21-4

分子式:C6H3BrClF

分子量: 209.44

InChI:InChI=1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H

InChIKey: CJTIWGBQCVYTQE-UHFFFAOYSA-N

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

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    Mass

    MS-IW-9543          
    4-bromo-2-chloro-1-fluorobenzene
    C6H3BrClF           (Mass of molecular ion:    208)
    

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

          31.0       2.8
          36.0       1.4
          37.0       4.1
          38.0       2.1
          47.0       1.5
          49.0       2.1
          50.0       9.2
          56.0       1.0
          61.0       4.3
          62.0       3.5
          63.0       3.7
          64.0       3.6
          65.0       1.1
          68.0       8.7
          69.0       1.8
          73.0       3.5
          74.0      11.8
          75.0       3.8
          84.0       1.7
          86.0       1.8
          87.0       1.5
          92.0       4.3
          93.0      16.4
          94.0      18.3
          95.0       1.6
         103.0       1.2
         104.0       6.3
         105.0       7.9
         106.0       1.9
         109.0      12.3
         110.0       1.1
         111.0       4.1
         128.0       3.4
         129.0      82.1
         130.0       6.9
         131.0      26.3
         132.0       1.8
         208.0      77.0
         209.0       5.3
         210.0     100.0
         211.0       6.6
         212.0      23.9
         213.0       1.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H3 Br Cl F 0.05 ml : 0.5 ml CDCl3
    4-bromo-2-chloro-1-fluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.507 B 7.319 C 6.998

         Hz     ppm     Int.
    

       3004.76   7.519    580
       3002.32   7.513    610
       2998.17   7.502    580
       2995.73   7.496    598
       2936.28   7.348     26
       2933.23   7.340    339
       2930.79   7.334    333
       2928.96   7.329    351
       2926.51   7.323    329
       2924.44   7.318    387
       2922.00   7.312    373
       2920.17   7.307    381
       2917.72   7.301    346
       2809.20   7.030     27
       2805.42   7.020    597
       2802.98   7.014     43
       2796.75   6.998   1000
       2790.41   6.983     43
       2787.96   6.977    528
    

in CDCl3

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liquid film

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