3,4-二氟苯酚(2713-33-9)核磁圖(¹HNMR)

產(chǎn)品名稱:3,4-二氟苯酚

CAS:2713-33-9

分子式:C6H4F2O

分子量: 130.09

InChI:InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

InChIKey: BNPWVUJOPCGHIK-UHFFFAOYSA-N

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

Mass

MS-IW-8986          
3,4-difluorophenol
C6H4F2O             (Mass of molecular ion:    130)

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

      18.0       1.1
      28.0       1.0
      29.0       1.3
      31.0       5.9
      37.0       1.5
      38.0       1.5
      39.0       1.2
      50.0       3.3
      51.0       8.1
      52.0       4.9
      53.0       2.2
      55.0       1.2
      56.0       3.3
      57.0       5.9
      61.0       2.4
      62.0       2.7
      63.0       5.4
      65.0       3.3
      68.0       1.1
      73.0       1.0
      75.0       7.7
      76.0       3.6
      80.0       1.1
      81.0       6.0
      82.0       9.2
      83.0       4.0
      99.0       2.0
     100.0       1.5
     101.0      38.6
     102.0      23.6
     103.0       1.2
     112.0       1.5
     129.0       1.9
     130.0     100.0
     131.0       6.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F₂ O	0.043 g : 0.5 ml CDCl₃
3,4-difluorophenol

    Assign.     Shift(ppm)

      A             7.012
      B             6.679
      C             6.533
      D             5.31

     Hz     ppm     Int.

   2816.89   7.049    206
   2807.86   7.026    438
   2806.76   7.024    247
   2798.95   7.004    270
   2797.73   7.001    430
   2788.82   6.979    226
   2679.93   6.706    217
   2676.88   6.699    236
   2673.46   6.690    223
   2670.41   6.682    244
   2668.58   6.678    220
   2665.53   6.670    242
   2662.11   6.662    216
   2659.06   6.654    235
   2619.26   6.554    163
   2617.43   6.550    176
   2616.09   6.546    244
   2614.38   6.542    245
   2612.92   6.539    159
   2611.08   6.534    162
   2610.35   6.532    163
   2608.52   6.528    164
   2607.18   6.524    224
   2605.35   6.520    221
   2604.00   6.516    138
   2602.17   6.512    128
   2121.46   5.309   1000

in CDCl3