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327-92-4

1,5-二氟-2,4-二硝基苯(327-92-4)质谱(MS)

分子式:C6H2F2N2O4

分子量: 204.09

InChI:InChI=1S/C6H2F2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H

InChIKey: VILFTWLXLYIEMV-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7960          
    1,5-difluoro-2,4-dinitrobenzene
    C6H2F2N2O4          (Mass of molecular ion:    204)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       4.4
          28.0       5.0
          30.0     100.0
          31.0       9.9
          37.0       1.7
          38.0       1.0
          46.0       9.4
          50.0       8.4
          51.0       1.2
          53.0       1.1
          56.0       3.2
          57.0       1.0
          61.0       9.6
          62.0      32.1
          63.0       2.3
          64.0       8.6
          68.0       9.2
          69.0       1.4
          73.0       1.2
          74.0       3.6
          75.0       4.4
          76.0       2.3
          80.0       3.0
          81.0      11.1
          82.0       1.2
          86.0       1.3
          87.0       1.3
          88.0       1.7
          92.0       4.5
          93.0       3.0
          94.0       1.7
          99.0       7.5
         100.0      17.9
         101.0       1.3
         111.0      10.8
         112.0      65.9
         113.0       5.9
         114.0       1.7
         125.0       4.6
         126.0       1.4
         128.0       1.9
         142.0       1.3
         174.0       5.9
         188.0       3.6
         204.0      79.5
         205.0       6.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H2 F2 N2 O4 0.072 g : 0.5 ml CDCl3
    1,5-difluoro-2,4-dinitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.978 B 7.380 J(A,F-19)=7.7HZ J(B,F-19)=9.8HZ

         Hz     ppm     Int.
    

        811.69   9.064    397
        809.44   9.038     81
        809.00   9.034     79
        808.63   9.029     76
        808.38   9.027     76
        808.06   9.023     76
        807.75   9.020     80
        804.19   8.980    765
        800.19   8.935     70
        799.88   8.932     73
        799.19   8.924     85
        796.63   8.895    398
        670.94   7.492    498
        670.56   7.488    483
        663.56   7.410     88
        661.25   7.384   1000
        660.75   7.378    960
        658.19   7.350     73
        655.81   7.323     55
        655.06   7.315     62
        654.06   7.304     82
        651.50   7.275    578
        649.19   7.249     60
        648.31   7.239     55
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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