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70-34-8

2,4-二硝基氟苯(70-34-8)红外图谱(IR3)

产品名称:2,4-二硝基氟苯

CAS:70-34-8

分子式:C6H3FN2O4

分子量: 186.1

InChI:InChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

InChIKey: LOTKRQAVGJMPNV-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1314          
    1-fluoro-2,4-dinitrobenzene
    C6H3FN2O4           (Mass of molecular ion:    186)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.6
          28.0       6.4
          29.0       1.0
          30.0     100.0
          31.0       5.8
          32.0       1.0
          33.0       1.0
          37.0       2.9
          38.0       2.6
          39.0       1.1
          44.0       2.0
          45.0       1.1
          46.0       4.4
          49.0       1.1
          50.0      21.8
          51.0       3.7
          53.0       1.6
          56.0       3.8
          57.0       5.7
          61.0       4.1
          62.0       4.4
          63.0      10.3
          64.0       1.4
          68.0      19.3
          69.0       3.9
          70.0       2.2
          73.0       2.9
          74.0      13.4
          75.0       8.0
          76.0       5.9
          79.0       2.4
          81.0      10.0
          82.0      22.4
          83.0       1.6
          92.0       4.1
          93.0      38.0
          94.0      88.4
          95.0       8.7
          96.0       1.4
         107.0       7.8
         108.0       1.4
         109.0       1.0
         110.0      11.8
         111.0       1.0
         124.0       1.4
         140.0       7.8
         156.0       3.5
         170.0       4.0
         186.0      81.1
         187.0       6.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H3 F N2 O4 0.04 ml : 0.5 ml CDCl3
    1-fluoro-2,4-dinitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.983 B 8.578 C 7.589

         Hz     ppm     Int.
    

        811.88   9.066     29
        809.25   9.036    388
        806.44   9.005    448
        802.81   8.964    382
        800.06   8.934    443
        776.38   8.669    377
        773.56   8.638    344
        772.69   8.628    414
        769.81   8.596    325
        767.25   8.567    457
        764.38   8.535    431
        763.56   8.526    478
        760.69   8.494    394
        688.63   7.690    594
        684.69   7.646     24
        683.00   7.627     23
        679.13   7.583   1000
        669.94   7.481    478
    

in CDCl3

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KBr disc

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liquid film

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nujol mull

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