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700-37-8

4-氯-2-氟硝基苯(700-37-8)核磁图(1HNMR)

产品名称:4-氯-2-氟硝基苯

CAS:700-37-8

分子式:C6H3ClFNO2

分子量: 175.54

InChI:InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

InChIKey: PTCPUGKKWNMITF-UHFFFAOYSA-N

Smiles:C1([N+]([O-])=O)=CC=C(Cl)C=C1F

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    Mass

    MS-IW-3629          
    4-chloro-2-fluoro-1-nitrobenzene
    C6H3ClFNO2          (Mass of molecular ion:    175)
    

       Source Temperature: 230 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          28.0       2.8
          30.0      27.1
          31.0       4.3
          36.0       1.6
          37.0       4.0
          38.0       2.7
          46.0       1.2
          49.0       2.4
          50.0      15.9
          51.0       1.9
          56.0       2.5
          57.0       6.1
          60.0       1.3
          61.0       6.9
          62.0       5.8
          63.0      10.7
          67.0       5.2
          68.0      16.6
          69.0       5.5
          72.0       1.0
          73.0       6.5
          74.0      22.0
          75.0       8.3
          81.0       4.2
          82.0       2.8
          84.0       2.4
          85.0       2.0
          86.0       1.1
          91.0       4.5
          92.0       7.3
          93.0      39.4
          94.0      35.5
          95.0       2.5
         103.0       3.2
         105.0       1.1
         108.0       2.5
         109.0      34.9
         110.0       3.1
         111.0      11.4
         117.0      48.6
         118.0       2.8
         119.0      16.0
         128.0       4.0
         129.0      77.4
         130.0       6.4
         131.0      24.8
         132.0       1.6
         145.0      63.6
         146.0       4.2
         147.0      20.8
         148.0       1.3
         159.0       6.9
         161.0       2.4
         175.0     100.0
         176.0       6.9
         177.0      32.6
         178.0       2.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H3 Cl F N O2 0.040 g : 0.5 ml CDCl3
    4-chloro-2-fluoro-1-nitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.065 B 7.35 C 7.32

         Hz     ppm     Int.
    

       3232.79   8.090    452
       3227.54   8.076     50
       3225.10   8.070    414
       3224.24   8.068    669
       3216.55   8.049    357
       3215.94   8.047    398
       3213.38   8.041     41
       2943.85   7.367    498
       2941.65   7.361    622
       2938.96   7.354     30
       2933.96   7.342    207
       2933.35   7.340    408
       2931.88   7.337    800
       2930.91   7.334   1000
       2929.81   7.331    615
       2928.71   7.329    247
       2927.73   7.326    426
       2925.05   7.320     37
       2922.36   7.313    547
       2921.02   7.309    539
       2920.17   7.307    423
       2918.82   7.304    400
    

in CDCl3

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KBr disc

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nujol mull

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