827-99-6

3-三氟甲氧基苯酚(827-99-6)核磁图(¹³CNMR)

产品名称:3-三氟甲氧基苯酚

CAS:827-99-6

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

¹HNMR

¹³CNMR

IR1

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

¹H NMR	399.65 MHz
C₇ H₅ F₃ O₂	0.05 ml : 0.5 ml CDCl₃
m-(trifluoromethoxy)phenol

    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