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556-96-7

3,5-二甲基溴苯(556-96-7)核磁圖(1HNMR)

產品名稱:3,5-二甲基溴苯

CAS:556-96-7

分子式:C8H9Br

分子量: 185.06

InChI:InChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3

InChIKey: LMFRTSBQRLSJHC-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-IW-8664          
5-bromo-m-xylene
C8H9Br              (Mass of molecular ion:    184)


       Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          27.0       3.3
      28.0       1.0
      38.0       2.2
      39.0       7.2
      50.0       4.1
      51.0      18.3
      51.5       1.5
      52.0       4.3
      53.0       2.4
      61.0       1.1
      62.0       3.1
      63.0       7.6
      64.0       1.8
      65.0       2.7
      74.0       1.9
      75.0       1.9
      76.0       1.6
      77.0      21.2
      78.0       8.1
      79.0      20.5
      80.0       1.4
      89.0       3.4
      90.0       3.4
      91.0       2.9
      92.0       3.7
      93.0       1.1
     102.0       2.4
     103.0      16.9
     104.0       9.0
     105.0      95.9
     106.0       8.5
     169.0       6.8
     171.0       6.6
     183.0       6.0
     184.0     100.0
     185.0      14.7
     186.0      97.6
     187.0       8.6

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H9 Br 0.05 ml : 0.5 ml CDCl3
    5-bromo-m-xylene
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.096
      B             6.863
      C             2.246
  

         Hz     ppm     Int.


       2836.79   7.099    335
   2836.18   7.097    348
   2744.51   6.868    126
   2743.77   6.866    159
   2743.04   6.864    170
   2742.31   6.862    153
    897.58   2.246   1000
    896.85   2.245    929

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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