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1427-07-2

2-氟-4-硝基甲苯(1427-07-2)Raman光谱

产品名称:2-氟-4-硝基甲苯

CAS:1427-07-2

分子式:C7H6FNO2

分子量: 155.13

InChI:InChI=1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

InChIKey: WIQISTBTOQNVCE-UHFFFAOYSA-N

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

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    Mass

    MS-IW-3077          
    2-fluoro-4-nitrotoluene
    C7H6FNO2            (Mass of molecular ion:    155)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       1.4
          28.0       3.2
          30.0       9.9
          31.0       2.7
          37.0       1.2
          38.0       2.4
          39.0      10.3
          50.0       6.4
          51.0       9.0
          52.0       1.4
          56.0       1.6
          57.0      18.5
          58.0       1.0
          59.0       7.3
          61.0       2.6
          62.0       6.0
          63.0      15.7
          64.0       1.6
          68.0       1.8
          69.0       1.8
          70.0       2.2
          71.0       1.3
          74.0       2.5
          75.0       2.7
          76.0       1.0
          77.0      10.7
          78.0       1.0
          80.0       1.3
          81.0       8.9
          82.0       3.0
          83.0      71.0
          84.0       4.2
          85.0       1.2
          86.0       1.7
          87.0       1.6
          89.0       8.5
          90.0       1.0
          94.0       1.0
          95.0       6.6
          96.0       4.0
          97.0      19.0
          98.0       1.3
         105.0       1.4
         107.0      17.6
         108.0       6.2
         109.0     100.0
         110.0       8.3
         112.0       2.4
         125.0      19.9
         126.0       1.5
         139.0       1.8
         155.0      89.4
         156.0       7.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H6 F N O2 0.047 g : 0.5 ml CDCl3
    2-fluoro-4-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.950 B 7.885 C 7.369 D 2.392 J(A,B)=2.2HZ J(A,C)=8.3HZ J(B,F-19)=9.3HZ J(D,F-19)=2.2HZ

         Hz     ppm     Int.
    

       3183.35   7.966    126
       3181.03   7.960    154
       3174.93   7.945    142
       3172.73   7.939    175
       3157.71   7.902    154
       3155.52   7.896    142
       3151.49   7.886     28
       3148.44   7.878    157
       3146.24   7.873    151
       2953.61   7.391    135
       2953.13   7.390    141
       2945.31   7.370    258
       2937.74   7.351    133
       2937.01   7.349    137
        957.64   2.397    963
        957.28   2.396    964
        955.44   2.391   1000
    

in CDCl3

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KBr disc

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nujol mull

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