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Back ChemicalBook Home>CAS DataBase List>2105-61-5More Spectrum> 1,2,4-Trifluoro-5-nitrobenzene(2105-61-5) MS

1,2,4-Trifluoro-5-nitrobenzene(2105-61-5) MS

Molecular FormulaC6H2F3NO2

Molecular Weight177.08

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

InChIKey ROJNMGYMBLNTPK-UHFFFAOYSA-N

SmilesC1(F)=CC([N+]([O-])=O)=C(F)C=C1F


  • Mass

    MS-NW-9951          
    1,2,4-trifluoro-5-nitrobenzene
    C6H2F3NO2           (Mass of molecular ion:    177)
    

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

          28.0       2.0
          30.0      42.2
          31.0       9.1
          37.0       2.3
          46.0       2.1
          50.0       2.2
          51.0       2.8
          56.0       2.8
          57.0       4.0
          61.0       6.9
          62.0       7.6
          68.0       4.0
          69.0       7.0
          74.0       2.1
          75.0      10.2
          76.0       1.0
          79.0       1.9
          80.0       7.9
          81.0     100.0
          82.0       5.8
          86.0       1.9
          87.0       2.0
          91.0       1.6
          92.0       2.1
          93.0       2.7
          94.0       1.2
          95.0       1.1
          99.0       5.8
         100.0       1.4
         111.0       1.9
         112.0       3.0
         119.0      35.4
         120.0       2.0
         130.0       6.2
         131.0      68.2
         132.0       4.6
         147.0      25.0
         148.0       1.7
         161.0       7.0
         177.0      97.0
         178.0       6.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H2 F3 N O2 0.05 ml : 0.5 ml CDCl3
    1,2,4-trifluoro-5-nitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.055 B 7.278

         Hz     ppm     Int.
    

       3231.57   8.087    525
       3224.12   8.068    721
       3223.63   8.067    721
       3222.17   8.063    621
       3216.67   8.049    624
       3214.72   8.044    713
       3210.69   8.034     69
       3207.28   8.026    523
       2921.75   7.311    601
       2915.41   7.295    629
       2911.74   7.286   1000
       2905.27   7.270    987
       2902.10   7.262    629
       2898.32   7.253     62
       2895.75   7.246    593
       2892.09   7.237     37
    

in CDCl3



liquid film





1,2,4-Trifluoro-5-nitrobenzene(2105-61-5) MS Atlas of Related Products

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