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705-29-3

3-三氟甲基氯芐(705-29-3)Raman光譜

產(chǎn)品名稱:3-三氟甲基氯芐

CAS:705-29-3

分子式:C8H6ClF3

分子量: 194.58

InChI:InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

InChIKey: XGASTRVQNVVYIZ-UHFFFAOYSA-N

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

  • 圖譜
    Mass

    MS-NW-7793          
    alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene
    C8H6ClF3            (Mass of molecular ion:    194)
    

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

          38.0       1.3
          39.0       3.2
          50.0       1.8
          51.0       2.0
          57.0       1.2
          62.0       2.3
          63.0       4.6
          64.0       1.0
          69.0       2.1
          70.0       2.3
          75.0       1.6
          83.0       1.6
          87.0       1.4
          88.0       1.0
          89.0       4.5
          90.0       1.6
          99.0       1.1
         107.0       1.6
         108.0       1.4
         109.0      13.3
         110.0       1.0
         119.0       4.9
         125.0       2.7
         127.0       1.1
         138.0       1.6
         139.0       2.3
         140.0       2.0
         158.0       2.5
         159.0     100.0
         160.0       9.0
         175.0       4.1
         177.0       1.4
         193.0       1.8
         194.0      19.0
         195.0       2.3
         196.0       6.1
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H6 Cl F3 0.05 ml : 0.5 ml CDCl3
    alpha'-chloro-alpha,alpha,alpha-trifluoro-m-xylene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.641 B 7.56 C 7.457 D 4.585

         Hz     ppm     Int.
    

       3054.08   7.642    254
       3040.28   7.608     28
       3032.10   7.587     41
       3025.88   7.572    141
       3023.80   7.567    140
       3023.19   7.565    139
       3022.58   7.564    142
       3021.97   7.562    146
       3021.48   7.561    140
       3020.75   7.559    136
       3018.43   7.553    187
       3015.87   7.547    197
       3015.38   7.546    191
       3014.77   7.544    182
       3014.16   7.543    188
       2992.19   7.488     32
       2986.45   7.473    168
       2978.76   7.454    197
       2970.95   7.434     79
       1832.52   4.586   1000
    

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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