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对三氟甲氧基苯胺(461-82-5)质谱(MS)

分子式:C7H6F3NO

分子量: 177.12

InChI:InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2

InChIKey: XUJFOSLZQITUOI-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(OC(F)(F)F)C=C1


  • Mass

    MS-IW-3594          
    p-(trifluoromethoxy)aniline
    C7H6F3NO            (Mass of molecular ion:    177)
    

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

          26.0       1.0
          27.0       2.0
          28.0       3.1
          38.0       1.5
          39.0       3.4
          41.0       1.5
          46.0       1.1
          50.0       1.6
          51.0       2.9
          52.0       9.1
          53.0      11.3
          54.0       2.8
          62.0       1.6
          63.0       3.3
          64.0       1.5
          65.0       4.3
          69.0      10.3
          78.0       1.2
          79.0       2.7
          80.0      31.4
          81.0       2.1
          83.0       2.4
          90.0       1.0
          92.0      12.7
         101.0       1.1
         108.0      98.3
         109.0       7.4
         110.0       1.1
         149.0       2.5
         176.0       3.2
         177.0     100.0
         178.0       8.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H6 F3 N O 0.05 ml : 0.5 ml CDCl3
    p-(trifluoromethoxy)aniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.983 B 6.575 C 3.59

         Hz     ppm     Int.
    

       2798.95   7.004     61
       2797.97   7.002     77
       2795.53   6.995    453
       2794.68   6.993    489
       2793.70   6.991    323
       2792.36   6.988    193
       2788.82   6.979    187
       2786.50   6.973    526
       2785.64   6.971    522
       2783.20   6.965    100
       2782.23   6.962     79
       2635.50   6.595    137
       2632.08   6.586   1000
       2629.76   6.581    375
       2625.37   6.570    347
       2623.05   6.564    919
       2619.63   6.555    118
       1434.57   3.590    289
    

in CDCl3



liquid film





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