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315-14-0

1,3,5-三氟-2-硝基苯(315-14-0)质谱(MS)

分子式:C6H2F3NO2

分子量: 177.08

InChI:InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H

InChIKey: PWRFDGYYJWQIAB-UHFFFAOYSA-N

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

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    Mass

    MS-IW-9332          
    1,3,5-trifluoro-2-nitrobenzene
    C6H2F3NO2           (Mass of molecular ion:    177)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       9.7
          30.0      94.3
          31.0      14.7
          32.0       1.1
          37.0       3.7
          38.0       1.1
          44.0       1.1
          46.0       8.0
          50.0       2.6
          51.0       5.4
          55.0       1.1
          56.0       2.8
          57.0       4.6
          61.0       7.9
          62.0       8.3
          68.0       5.7
          69.0       9.1
          74.0       3.0
          75.0      13.0
          76.0       1.4
          79.0       2.6
          80.0       9.6
          81.0     100.0
          82.0       6.1
          85.0       1.1
          86.0       2.8
          87.0       2.7
          92.0       2.3
          93.0       4.0
          94.0       1.2
          95.0       1.3
          99.0       7.3
         100.0       2.2
         111.0       1.9
         112.0       3.1
         118.0       1.2
         119.0      38.2
         120.0       2.1
         130.0       7.3
         131.0      41.7
         132.0       2.9
         147.0      53.6
         148.0       3.6
         161.0       8.6
         177.0      86.2
         178.0       6.2
         222.0       1.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H2 F3 N O2 0.05 ml : 0.5 ml CDCl3
    1,3,5-trifluoro-2-nitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.917

         Hz     ppm     Int.
    

       2777.22   6.950    119
       2774.29   6.942    252
       2772.46   6.938    703
       2768.92   6.929    148
       2764.40   6.918   1000
       2759.77   6.906    136
       2756.35   6.897    682
       2754.39   6.893    223
       2751.46   6.885    103
    

in CDCl3

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liquid film

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