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461-96-1

3,5-二氟溴苯(461-96-1)质谱(MS)

产品名称:3,5-二氟溴苯

CAS:461-96-1

分子式:C6H3BrF2

分子量: 192.99

InChI:InChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H

InChIKey: JHLKSIOJYMGSMB-UHFFFAOYSA-N

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

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    Mass

    MS-IW-8148          
    1-bromo-3,5-difluorobenzene
    C6H3BrF2            (Mass of molecular ion:    192)
    

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

          31.0       2.3
          37.0       1.8
          38.0       1.1
          50.0       3.2
          56.0       1.7
          57.0       1.6
          61.0       3.6
          62.0       6.7
          63.0      28.6
          64.0       1.5
          68.0       4.9
          69.0       2.0
          73.0       1.1
          74.0       3.6
          75.0       1.4
          81.0       2.8
          87.0       1.1
          92.0       2.1
          93.0       4.9
          94.0       2.5
          96.0       3.6
          97.0       3.6
         112.0       6.1
         113.0      91.1
         114.0       6.1
         192.0     100.0
         193.0       6.9
         194.0      99.0
         195.0       6.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H3 Br F2 0.05 ml : 0.5 ml CDCl3
    1-bromo-3,5-difluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.047 B 6.756

         Hz     ppm     Int.
    

       2827.88   7.076     96
       2825.44   7.070    197
       2823.00   7.064    210
       2821.04   7.059    978
       2819.95   7.057    508
       2818.73   7.053   1000
       2817.75   7.051    500
       2815.55   7.046    462
       2814.45   7.043    960
       2813.23   7.040    508
       2812.13   7.037    973
       2810.18   7.032    222
       2807.86   7.026    216
       2805.30   7.020    111
       2711.55   6.785    241
       2709.23   6.780    427
       2706.91   6.774    224
       2705.32   6.770     37
       2704.71   6.768     38
       2702.64   6.763    460
       2700.32   6.757    791
       2698.00   6.751    429
       2693.60   6.740    246
       2691.41   6.735    428
       2689.09   6.729    227
    

in CDCl3

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liquid film

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