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452-64-2

3,4-二甲基氟苯(452-64-2)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):3,4-二甲基氟苯

CAS:452-64-2

分子式:C8H9F

分子量: 124.16

InChI:InChI=1S/C8H9F/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3

InChIKey: WYHBENDEZDFJNU-UHFFFAOYSA-N

Smiles:C1(C)=CC=C(F)C=C1C

  • 圖譜
    Mass 

    MS-IW-8154          
4-fluoro-o-xylene
C8H9F               (Mass of molecular ion:    124)


       Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          27.0       1.2
      39.0       2.0
      50.0       1.9
      51.0       4.6
      57.0       2.8
      60.0       1.2
      61.0       1.6
      62.0       1.0
      63.0       2.0
      70.0       1.1
      74.0       1.1
      75.0       2.6
      77.0       7.1
      81.0       1.3
      83.0       6.0
      95.0       2.0
      96.0       3.8
      97.0       2.9
     101.0       4.3
     102.0       1.4
     103.0       7.6
     107.0       1.7
     109.0     100.0
     110.0       7.9
     120.0       1.0
     121.0       3.1
     122.0       2.8
     123.0      30.2
     124.0      56.1
     125.0       5.0

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H9 F 0.05 ml : 0.5 ml CDCl3
    4-fluoro-o-xylene
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.002
      B             6.794
      C             6.740
      D     *1      2.188
      E     *1      2.163
  

         Hz     ppm     Int.


       2806.03   7.022    111
   2799.93   7.006    127
   2797.73   7.001    137
   2791.75   6.986    126
   2721.44   6.810    120
   2718.75   6.803    140
   2711.79   6.786    120
   2709.11   6.779    141
   2703.13   6.764     92
   2700.32   6.757     73
   2694.58   6.743    155
   2691.89   6.736    123
   2686.16   6.722     77
   2683.47   6.715     62
    874.39   2.188   1000
    864.62   2.164    851

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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