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85118-00-9

2,6-二氟溴芐(85118-00-9)Raman光譜

產品名稱:2,6-二氟溴芐

CAS:85118-00-9

分子式:C7H5BrF2

分子量: 207.02

InChI:InChI=1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

InChIKey: LSXJPJGBWSZHTM-UHFFFAOYSA-N

Smiles:C1(F)=CC=CC(F)=C1CBr

  • 圖譜
    Mass 

    MS-KW-0417          
alpha-bromo-2,6-difluorotoluene
C7H5BrF2            (Mass of molecular ion:    206)


       Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          31.0       1.2
      50.0       1.5
      51.0       1.9
      57.0       3.0
      63.0       1.4
      63.5       1.6
      75.0       2.3
      77.0       4.0
      81.0       2.1
      93.0       1.0
      94.0       1.0
     101.0       7.5
     107.0       4.2
     125.0       3.3
     126.0       1.9
     127.0     100.0
     128.0       7.8
     206.0       3.3
     208.0       3.2

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C7H5BrF2 0.040 g : 0.5 ml CDCl3
    alpha-bromo-2,6-difluorotoluene
    ChemicalStructure 
        Assign.     Shift(ppm)
    
     A           7.279
     B           6.906
     C           4.531
  

         Hz     ppm     Int.


       2925.18   7.317     74
   2918.71   7.301    150
   2916.75   7.296    125
   2912.24   7.285     90
   2910.28   7.280    295
   2908.33   7.275     99
   2903.81   7.264    124
   2901.86   7.259    176
   2895.39   7.243     86
   2772.71   6.936     52
   2771.12   6.932     71
   2767.71   6.924    382
   2764.04   6.914     65
   2762.70   6.911     86
   2760.26   6.905    439
   2756.96   6.897     74
   2755.38   6.893     56
   2751.84   6.884    325
   2748.42   6.875     47
   2746.95   6.872     37
   1812.14   4.533    636
   1811.16   4.531   1000
   1810.06   4.528    593

in CDCl3

  • 圖譜

KBr disk

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