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496-69-5

2-溴-4-氟苯酚(496-69-5)核磁图(13CNMR)

产品名称:2-溴-4-氟苯酚

CAS:496-69-5

分子式:C6H4BrFO

分子量: 191

InChI:InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

InChIKey: MEYRABVEYCFHHB-UHFFFAOYSA-N

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

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    Mass

    MS-IW-4836          
    2-bromo-4-fluorophenol
    C6H4BrFO            (Mass of molecular ion:    190)
    

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

          28.0       1.4
          31.0       3.5
          37.0       1.4
          38.0       1.4
          39.0       1.1
          41.0       1.7
          50.0       1.7
          53.0       2.7
          55.0       7.1
          56.0       3.9
          57.0      11.8
          61.0       3.0
          62.0       2.9
          63.0       8.0
          80.0       1.4
          81.0      11.0
          82.0      54.4
          83.0      31.4
          84.0       1.9
          95.0       4.2
          96.0       3.9
         110.0      11.4
         111.0       8.1
         135.0       1.0
         137.0       1.0
         161.0       3.4
         163.0       3.3
         190.0     100.0
         191.0       7.4
         192.0      97.3
         193.0       6.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H4 Br F O 0.035 g : 0.5 ml CDCl3
    2-bromo-4-fluorophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.211 B 6.97 C 6.96 D 5.35

         Hz     ppm     Int.
    

       2887.82   7.226    248
       2886.84   7.224    269
       2885.50   7.221    264
       2884.52   7.218    278
       2880.00   7.207    273
       2879.27   7.205    293
       2877.56   7.201    270
       2876.83   7.199    282
       2795.90   6.996     58
       2791.14   6.984     70
       2790.41   6.983     97
       2787.84   6.976    566
       2787.11   6.974    737
       2784.91   6.969    383
       2782.23   6.962    485
       2781.49   6.960    467
       2780.03   6.957    405
       2777.59   6.951    341
       2775.88   6.946     66
       2771.00   6.934     53
       2768.55   6.928     67
       2138.18   5.351   1000
    

in CDCl3

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KBr disc

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nujol mull

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