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Back ChemicalBook Home>CAS DataBase List>118-83-2More Spectrum> 5-Chloro-2-nitrobenzotrifluoride(118-83-2) Raman

118-83-2

5-Chloro-2-nitrobenzotrifluoride(118-83-2) Raman

Molecular FormulaC7H3ClF3NO2

Molecular Weight225.55

InChIInChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H

InChIKey CFPIGEXZPWTNOR-UHFFFAOYSA-N

SmilesC1([N+]([O-])=O)=CC=C(Cl)C=C1C(F)(F)F

  • 5-Chloro-2-nitrobenzotrifluoride(118-83-2) Raman
    Mass

    MS-NW-9893          
    5-chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene
    C7H3ClF3NO2         (Mass of molecular ion:    225)
    

       Source Temperature: 250 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       3.5
          30.0      70.5
          31.0       2.6
          36.0       1.3
          37.0       2.7
          38.0       2.6
          46.0       1.8
          49.0       1.6
          50.0       7.4
          51.0       2.7
          57.0       2.4
          61.0       2.8
          62.0       3.6
          63.0       4.7
          67.0       1.0
          68.0       1.9
          69.0      11.8
          73.0       5.4
          74.0      17.4
          75.0      25.7
          76.0       5.6
          80.0       1.0
          81.0       2.4
          84.0       1.8
          85.0       3.4
          86.0       1.1
          87.0       1.9
          88.0       1.3
          91.0       3.3
          92.0       1.4
          93.0       7.7
          94.0       7.2
          95.0       1.9
          97.0       1.1
          99.0       6.8
         109.0       6.7
         110.0       2.8
         111.0       2.7
         112.0       3.1
         113.0       1.3
         117.0       3.6
         118.0       1.4
         119.0       3.9
         123.0       2.2
         124.0       1.2
         125.0      11.8
         126.0       1.2
         129.0      13.7
         130.0       1.1
         131.0       7.0
         132.0      31.4
         133.0       2.4
         143.0      20.1
         144.0      41.3
         145.0       3.4
         147.0       6.4
         148.0       1.6
         149.0       2.2
         153.0       1.0
         159.0       6.7
         160.0       1.6
         161.0       2.3
         167.0      33.2
         168.0       2.3
         169.0      10.7
         179.0     100.0
         180.0       8.2
         181.0      32.2
         182.0       2.6
         195.0      53.9
         196.0       4.3
         197.0      17.6
         198.0       1.3
         206.0       4.2
         208.0       1.4
         209.0       3.5
         211.0       1.1
         225.0      69.4
         226.0       5.7
         227.0      22.4
         228.0       1.8
    

400 MHz in CDCl3

  • 5-Chloro-2-nitrobenzotrifluoride(118-83-2) Raman

    1H NMR 399.65 MHz
    C7 H3 Cl F3 N O2 0.05 ml : 0.5 ml CDCl3
    5-chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.915 B 7.828 C 7.740

         Hz     ppm     Int.
    

       3175.78   7.947     29
       3167.60   7.926    715
       3158.94   7.905    890
       3145.51   7.871     26
       3129.64   7.831    896
       3127.44   7.826   1000
       3118.41   7.803     24
       3116.09   7.798     27
       3114.50   7.794     26
       3107.67   7.776     23
       3098.27   7.753    648
       3097.90   7.752    682
       3096.07   7.747    599
       3095.70   7.747    605
       3089.72   7.732    513
       3089.23   7.730    545
       3087.40   7.726    486
       3087.04   7.725    494
       3082.76   7.714     28
       3080.08   7.707     21
    

in CDCl3

  • 5-Chloro-2-nitrobenzotrifluoride(118-83-2) Raman

liquid film

  • 5-Chloro-2-nitrobenzotrifluoride(118-83-2) Raman

  • 5-Chloro-2-nitrobenzotrifluoride(118-83-2) Raman

5-Chloro-2-nitrobenzotrifluoride(118-83-2) Raman Atlas of Related Products

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