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

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

¹H NMR	399.65 MHz
C₆ H₃ F₃ O	saturated in CDCl₃
2,3,4-trifluorophenol

    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