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402-31-3

间二三氟甲苯(402-31-3)核磁图(13CNMR)

产品名称:间二三氟甲苯

CAS:402-31-3

分子式:C8H4F6

分子量: 214.11

InChI:InChI=1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H

InChIKey: SJBBXFLOLUTGCW-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6458          
    alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene
    C8H4F6              (Mass of molecular ion:    214)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          28.0       1.5
          31.0       3.3
          37.0       1.4
          38.0       2.1
          39.0       1.7
          50.0       7.7
          51.0       3.4
          57.0       3.2
          62.0       1.5
          63.0       1.4
          69.0       7.8
          74.0       4.7
          75.0      12.7
          76.0       2.6
          81.0       1.6
          88.0       2.3
          93.0       1.2
          94.0       1.4
          95.0       9.3
          99.0       4.0
         100.0       1.0
         107.0       1.3
         114.0       6.0
         119.0       1.8
         125.0       8.6
         126.0       3.7
         143.0       3.0
         144.0       5.3
         145.0      66.4
         146.0       5.3
         163.0       6.7
         164.0      30.7
         165.0       2.6
         194.0       2.9
         195.0      67.9
         196.0       6.3
         213.0       9.7
         214.0     100.0
         215.0       9.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H4 F6 0.05 ml : 0.5 ml CDCl3
    alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.890 B 7.817 C 7.632

         Hz     ppm     Int.
    

       3153.56   7.891    796
       3152.95   7.890    791
       3128.54   7.829    856
       3128.05   7.827    837
       3120.61   7.809   1000
       3057.98   7.652    374
       3057.25   7.650    362
       3050.42   7.633    506
       3049.80   7.632    564
       3042.24   7.613    260
       3041.63   7.611    250
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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