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50824-05-0

4-三氟甲氧基溴芐(50824-05-0)核磁圖(13CNMR)

產(chǎn)品名稱:4-三氟甲氧基溴芐

CAS:50824-05-0

分子式:C8H6BrF3O

分子量: 255.03

InChI:InChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2

InChIKey: JDNPUJCKXLOHOW-UHFFFAOYSA-N

Smiles:C1(CBr)=CC=C(OC(F)(F)F)C=C1

  • 圖譜
    Mass 

    MS-KW-0547          
alpha-bromo-4-(trifluoromethoxy)benzene
C8H6BrF3O           (Mass of molecular ion:    254)


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


          39.0       1.6
      50.0       2.6
      51.0       5.0
      52.0       3.3
      63.0       1.6
      69.0      10.1
      77.0       3.2
      78.0       7.7
      83.0       2.9
      89.0       1.3
      90.0       1.1
     106.0       1.1
     109.0       8.8
     169.0       1.9
     171.0       1.8
     175.0     100.0
     176.0       9.0
     254.0       1.1
     256.0       1.1

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8H6BrF3O 0.05 ml : 0.5 ml CDCl3
    4-(trifluoromethoxy)benzyl bromide
    ChemicalStructure 
        Assign.     Shift(ppm)
    
     A           7.399
     B           7.170
     C           4.453
  

         Hz     ppm     Int.


       2965.21   7.418     68
   2962.41   7.411    441
   2960.21   7.405    157
   2955.82   7.394    175
   2953.74   7.389    491
   2950.81   7.382     70
   2870.49   7.181    287
   2869.63   7.178    306
   2861.70   7.159    254
   2860.97   7.157    232
   1780.03   4.453   1000

in CDCl3

  • 圖譜

Liquid film

  • 圖譜

  • 圖譜

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