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443-82-3

3-氟邻二甲苯(443-82-3)质谱(MS)

产品名称:3-氟邻二甲苯

CAS:443-82-3

分子式:C8H9F

分子量: 124.16

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

InChIKey: AWLDSXJCQWTJPC-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6028          
    3-fluoro-o-xylene
    C8H9F               (Mass of molecular ion:    124)
    

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

          27.0       3.4
          28.0       1.1
          38.0       1.1
          39.0       4.3
          50.0       3.3
          51.0       7.8
          52.0       1.3
          57.0       4.0
          60.0       1.4
          61.0       1.9
          62.0       1.4
          63.0       3.2
          70.0       1.3
          74.0       1.3
          75.0       2.9
          77.0       7.8
          78.0       1.4
          81.0       1.5
          83.0       5.8
          91.0       1.2
          95.0       2.2
          96.0       4.3
          97.0       2.9
         101.0       3.8
         102.0       1.5
         103.0       5.3
         105.0       2.1
         107.0       1.7
         109.0     100.0
         110.0       8.1
         121.0       2.5
         122.0       2.7
         123.0      24.4
         124.0      66.3
         125.0       6.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H9 F 0.05 ml : 0.5 ml CDCl3
    3-fluoro-o-xylene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.000 B 6.888 C 6.833 D 2.244 E 2.146

         Hz     ppm     Int.
    

       2809.45   7.030     50
       2801.64   7.011    121
       2795.78   6.996    120
       2793.82   6.991     97
       2787.96   6.977     85
       2755.74   6.896    192
       2748.17   6.877    140
       2739.26   6.855    101
       2730.22   6.832    152
       2721.44   6.810     80
        897.09   2.245   1000
        858.89   2.150    693
        856.81   2.144    678
    

in CDCl3

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liquid film

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