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2268-05-5

2,6-二氯氟苯(2268-05-5)核磁图(13CNMR)

产品名称:2,6-二氯氟苯

CAS:2268-05-5

分子式:C6H3Cl2F

分子量: 164.99

InChI:InChI=1S/C6H3Cl2F/c7-4-2-1-3-5(8)6(4)9/h1-3H

InChIKey: JORVCRLRRRRLFI-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(Cl)=C1F

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    Mass

    MS-IW-9271          
    1,3-dichloro-2-fluorobenzene
    C6H3Cl2F            (Mass of molecular ion:    164)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          31.0       1.5
          37.0       1.7
          49.0       1.0
          50.0       3.1
          61.0       2.1
          62.0       1.7
          63.0       1.9
          64.0       4.6
          65.0       1.4
          68.0       5.0
          69.0       1.4
          73.0       2.1
          74.0       5.2
          75.0       1.7
          82.0       6.2
          83.0       4.1
          84.0       2.2
          92.0       2.4
          93.0       9.0
          94.0       5.3
         103.0       1.1
         104.0       1.1
         109.0       6.6
         111.0       2.1
         128.0       4.8
         129.0      34.7
         130.0       3.9
         131.0      11.2
         164.0     100.0
         165.0       6.9
         166.0      63.7
         167.0       4.3
         168.0      10.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H3 Cl2 F 0.040 g : 0.5 ml CDCl3
    1,3-dichloro-2-fluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.303 B 7.028

         Hz     ppm     Int.
    

       2926.51   7.323    808
       2919.92   7.307    846
       2918.33   7.303   1000
       2911.87   7.287    952
       2905.15   7.270     25
       2817.26   7.050    318
       2815.67   7.046    313
       2809.45   7.030    388
       2808.84   7.029    347
       2807.74   7.026    400
       2801.03   7.009    244
       2799.44   7.005    236
    

in CDCl3

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KBr disc

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nujol mull

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