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455-88-9

2-氟-5-硝基甲苯(455-88-9)核磁图(1HNMR)

产品名称:2-氟-5-硝基甲苯

CAS:455-88-9

分子式:C7H6FNO2

分子量: 155.13

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

InChIKey: XUCYJGMIICONES-UHFFFAOYSA-N

Smiles:C1(F)=CC=C([N+]([O-])=O)C=C1C

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    Mass

    MS-NW-6616          
    2-fluoro-5-nitrotoluene
    C7H6FNO2            (Mass of molecular ion:    155)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.6
          27.0       1.6
          28.0       3.2
          30.0       8.7
          31.0       3.8
          33.0       1.0
          37.0       1.9
          38.0       2.9
          39.0      11.1
          46.0       1.0
          50.0       5.7
          51.0       7.9
          52.0       1.1
          56.0       1.8
          57.0      19.1
          58.0       1.1
          59.0       6.8
          61.0       3.0
          62.0       6.2
          63.0      15.0
          64.0       1.7
          65.0       1.3
          68.0       1.5
          69.0       1.4
          70.0       1.8
          71.0       1.2
          74.0       2.4
          75.0       2.7
          77.0       8.0
          78.0       1.0
          80.0       1.4
          81.0       7.8
          82.0       3.0
          83.0      63.6
          84.0       4.0
          85.0       1.4
          86.0       1.7
          87.0       1.7
          89.0       8.0
          90.0       1.0
          91.0       1.3
          95.0       5.8
          96.0       3.1
          97.0      15.6
          98.0       1.0
         105.0       1.5
         107.0      16.0
         108.0       8.5
         109.0     100.0
         110.0       8.0
         125.0      30.8
         126.0       2.6
         139.0       3.3
         154.0       1.4
         155.0      96.1
         156.0       8.1
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H6 F N O2 0.044 g : 0.5 ml CDCl3
    2-fluoro-5-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.134 B 8.089 C 7.149 D 2.380

         Hz     ppm     Int.
    

       3255.62   8.147    134
       3255.13   8.145    135
       3252.69   8.139    168
       3252.20   8.138    169
       3249.15   8.130    129
       3248.66   8.129    130
       3246.22   8.123    164
       3245.73   8.122    164
       3240.72   8.109    118
       3240.11   8.108    117
       3237.79   8.102     96
       3237.18   8.101    110
       3236.33   8.098    133
       3235.72   8.097    124
       3233.40   8.091     89
       3232.79   8.090     95
       3231.81   8.087    119
       3231.20   8.086    114
       3228.88   8.080     99
       3228.27   8.078    112
       3227.42   8.076    124
       3226.81   8.075    112
       3224.49   8.069     82
       3223.88   8.067     76
       2865.60   7.171    228
       2857.06   7.149    386
       2848.14   7.127    207
        963.62   2.412     31
        961.67   2.407     38
        961.30   2.406     39
        960.94   2.405     40
        952.39   2.384   1000
        950.20   2.378    923
    

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    1H NMR 89.56 MHz
    C7 H6 F N O2 0.048 g : 0.5 ml CDCl3
    2-fluoro-5-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.14 B 8.06 C 7.12 D 2.37

         Hz     ppm     Int.
    

        732.94   8.184     63
        731.19   8.165    309
        730.50   8.157    337
        729.25   8.143    139
        728.50   8.135     75
        727.44   8.123     48
        726.44   8.112    164
        725.63   8.103    289
        725.25   8.098    251
        723.56   8.080    172
        722.88   8.072    211
        721.19   8.053     49
        720.75   8.048     61
        720.19   8.042     83
        719.56   8.035     98
        718.63   8.025    139
        718.13   8.019    126
        715.75   7.992     64
        715.13   7.985     65
        649.69   7.255     50
        647.69   7.232    126
        646.81   7.223    107
        640.00   7.147    173
        639.56   7.142    202
        639.13   7.137    198
        638.75   7.133    173
        637.06   7.114     98
        632.13   7.059     42
        629.81   7.033    116
        214.00   2.390    952
        212.56   2.374    596
        211.81   2.366   1000
    

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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