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2822-41-5

2,3,4-三氟苯酚(2822-41-5)Raman光谱

产品名称:2,3,4-三氟苯酚

CAS:2822-41-5

分子式:C6H3F3O

分子量: 148.08

InChI:InChI=1S/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H

InChIKey: IJGSULQFKYOYEU-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(F)C(F)=C1F

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    Mass

    MS-IW-9103          
    2,3,4-trifluorophenol
    C6H3F3O             (Mass of molecular ion:    148)
    

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

          28.0       1.3
          29.0       1.2
          31.0       6.5
          37.0       1.1
          50.0      10.1
          51.0       4.8
          53.0       1.4
          56.0       2.4
          57.0       2.0
          61.0       1.5
          68.0       2.0
          69.0       5.7
          70.0       6.1
          71.0       1.1
          74.0       5.8
          75.0       4.5
          80.0       1.8
          81.0       4.9
          93.0       2.5
          94.0       1.3
          99.0      15.6
         100.0      40.6
         101.0       6.3
         119.0      12.5
         120.0       5.3
         128.0       9.4
         129.0       1.3
         147.0       2.5
         148.0     100.0
         149.0       6.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H3 F3 O saturated in CDCl3
    2,3,4-trifluorophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.827 B 6.720 C 5.62

         Hz     ppm     Int.
    

       2754.52   6.893    285
       2753.30   6.890    326
       2750.61   6.883     34
       2747.68   6.876    312
       2746.46   6.873    328
       2743.77   6.866    878
       2741.58   6.860    284
       2739.87   6.856    325
       2738.16   6.852    935
       2734.01   6.842    442
       2733.15   6.839    439
       2729.37   6.830    376
       2728.52   6.828    449
       2698.97   6.754     33
       2695.31   6.745    767
       2690.55   6.733    463
       2689.21   6.729   1000
       2687.13   6.724    350
       2685.79   6.721    612
       2684.45   6.718    456
       2681.15   6.709    323
       2679.69   6.706    357
       2678.71   6.703    450
       2677.37   6.700    276
       2675.05   6.694    290
       2248.54   5.627    151
    

in CDCl3

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KBr disc

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nujol mull

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