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Back ChemicalBook Home>CAS DataBase List>400-99-7More Spectrum> 4-Hydroxy-3-nitrobenzotrifluoride(400-99-7) IR1

4-Hydroxy-3-nitrobenzotrifluoride(400-99-7) IR1

Molecular FormulaC7H4F3NO3

Molecular Weight207.11

InChIInChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H

InChIKey XZEDEVRSUANQEM-UHFFFAOYSA-N

SmilesC1(O)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O


  • Mass

    MS-NW-9763          
    2-nitro-4-(trifluoromethyl)phenol
    C7H4F3NO3           (Mass of molecular ion:    207)
    

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

          28.0       1.2
          30.0       5.6
          37.0       1.0
          38.0       1.6
          39.0       2.0
          50.0       2.0
          51.0       2.1
          53.0       4.1
          57.0       4.8
          61.0       1.4
          62.0       3.7
          63.0      18.9
          64.0       2.2
          69.0       3.3
          75.0       3.9
          76.0       1.2
          81.0       2.5
          82.0       1.4
          83.0       8.8
          87.0       1.0
          88.0       1.4
          99.0       1.8
         101.0       6.2
         107.0       3.5
         112.0       1.9
         113.0      19.5
         114.0       3.2
         126.0       4.6
         129.0       3.7
         132.0      13.5
         133.0       7.2
         141.0       6.1
         142.0       2.9
         143.0       1.5
         146.0       2.4
         149.0      14.7
         150.0       1.0
         160.0       5.0
         161.0      20.7
         162.0       6.5
         174.0       3.2
         177.0      17.1
         178.0       1.3
         188.0       9.6
         190.0       4.5
         191.0       1.8
         207.0     100.0
         208.0       8.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H4 F3 N O3 0.05 ml : 0.5 ml CDCl3
    2-nitro-4-(trifluoromethyl)phenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.8 B 8.420 C 7.832 D 7.322

         Hz     ppm     Int.
    

        966.58  10.793   1000
        754.76   8.428    458
        754.39   8.424    457
        753.30   8.412    466
        707.81   7.904    258
        707.37   7.899    258
        705.62   7.879    235
        705.10   7.873    224
        703.13   7.851     45
        702.83   7.848     45
        699.02   7.806    360
        698.51   7.800    361
        696.75   7.780    333
        696.24   7.775    317
        659.55   7.365    477
        659.25   7.361    471
        655.52   7.320     46
        655.00   7.314     46
        650.76   7.267    337
        650.39   7.263    332
    

in CDCl3



liquid film





4-Hydroxy-3-nitrobenzotrifluoride(400-99-7) IR1 Atlas of Related Products

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