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348-61-8

3,4-二氟溴苯(348-61-8)Raman光谱

产品名称:3,4-二氟溴苯

CAS:348-61-8

分子式:C6H3BrF2

分子量: 192.99

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

InChIKey: YMQPKONILWWJQG-UHFFFAOYSA-N

Smiles:C1(F)=CC=C(Br)C=C1F

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    Mass

    MS-NW-8612          
    4-bromo-1,2-difluorobenzene
    C6H3BrF2            (Mass of molecular ion:    192)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          31.0       5.8
          37.0       4.7
          38.0       2.4
          49.0       2.0
          50.0       6.8
          56.0       3.4
          57.0       2.8
          61.0       7.3
          62.0      13.2
          63.0      48.5
          64.0       2.7
          68.0       8.6
          69.0       3.3
          73.0       2.0
          74.0       6.5
          75.0       3.2
          79.0       1.3
          80.0       1.9
          81.0       4.7
          86.0       1.0
          87.0       2.9
          92.0       3.7
          93.0       8.3
          94.0       4.4
          96.0       3.6
          97.0       3.4
         111.0       1.0
         112.0       8.2
         113.0     100.0
         114.0       6.5
         192.0      97.1
         193.0       6.8
         194.0      94.6
         195.0       6.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H3 Br F2 0.02 ml : 0.3 ml CDCl3
    4-bromo-1,2-difluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.318 B 7.208 C 7.044 3-BOND COUPLING J(B,F-19)=2.0HZ 4-BOND COUPLING J(B,F-19)=4.4HZ

         Hz     ppm     Int.
    

       2977.17   7.450     33
       2934.20   7.342    584
       2931.76   7.336    626
       2927.12   7.325    608
       2924.56   7.318   1000
       2922.12   7.312    650
       2917.36   7.300    574
       2915.04   7.294    637
       2911.62   7.286     38
       2897.09   7.250     31
       2896.48   7.248     32
       2894.17   7.242     39
       2892.46   7.238     46
       2892.21   7.237     46
       2889.40   7.230    368
       2887.70   7.226    400
       2887.08   7.225    392
       2885.38   7.220    612
       2883.79   7.216    420
       2883.06   7.214    393
       2881.35   7.210    379
       2880.62   7.208    503
       2878.91   7.204    509
       2878.30   7.203    502
       2876.59   7.198    766
       2875.00   7.194    499
       2874.27   7.192    477
       2872.56   7.188    414
       2869.38   7.180     32
       2831.91   7.086     37
       2827.64   7.076    661
       2823.49   7.065     56
       2819.34   7.055    774
       2817.63   7.051    737
       2812.99   7.039     70
       2810.67   7.033    571
       2809.33   7.030    796
       2800.66   7.008    515
    

in CDCl3

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liquid film

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