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827-99-6

3-三氟甲氧基苯酚(827-99-6)核磁图(1HNMR)

分子式:C7H5F3O2

分子量: 178.11

InChI:InChI=1S/C7H5F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H

InChIKey: UWLJERQTLRORJN-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC(OC(F)(F)F)=C1

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    Mass

    MS-IW-9047          
    m-(trifluoromethoxy)phenol
    C7H5F3O2            (Mass of molecular ion:    178)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       4.3
          29.0       1.0
          31.0       1.0
          37.0       1.0
          38.0       2.4
          39.0       4.5
          41.0       1.2
          50.0       1.8
          51.0       2.5
          52.0       2.8
          53.0       9.6
          55.0       1.4
          56.0       1.0
          57.0       1.1
          62.0       1.2
          63.0       3.1
          64.0       4.5
          65.0       3.1
          69.0      13.8
          80.0       1.2
          81.0      20.9
          82.0       1.3
          83.0       2.4
          84.0       2.4
          92.0       2.4
          93.0       7.5
         102.0       1.2
         109.0       7.2
         111.0       1.0
         112.0       3.6
         178.0     100.0
         179.0       7.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H5 F3 O2 0.05 ml : 0.5 ml CDCl3
    m-(trifluoromethoxy)phenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.215 B 6.806 C 6.757 D 6.727 E 6.00

         Hz     ppm     Int.
    

       2892.21   7.237    368
       2884.03   7.217    743
       2875.85   7.196    439
       2726.32   6.822    190
       2725.34   6.820    271
       2724.24   6.817    300
       2723.14   6.814    278
       2722.17   6.812    191
       2718.02   6.802    176
       2717.04   6.799    251
       2715.94   6.796    279
       2714.97   6.794    258
       2713.87   6.791    173
       2706.30   6.772    308
       2705.44   6.770    296
       2703.86   6.766    389
       2703.00   6.764    335
       2698.12   6.752    242
       2697.27   6.750    249
       2695.68   6.746    392
       2694.95   6.744    341
       2689.58   6.730    390
       2688.48   6.728    450
       2687.62   6.725    428
       2399.54   6.005   1000
    

in CDCl3

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liquid film

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