108-95-2

苯酚(108-95-2)ESR圖譜

產(chǎn)品名稱:苯酚

CAS:108-95-2

分子式:C6H6O

分子量: 94.11

InChI:InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H

InChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-N

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

Mass

MS-NW-9060          
phenol
C6H6O               (Mass of molecular ion:     94)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.9
      37.0       2.0
      38.0       4.0
      39.0      13.6
      40.0       8.8
      47.0       3.9
      50.0       3.1
      51.0       3.2
      53.0       2.1
      55.0       6.6
      61.0       1.1
      62.0       1.7
      63.0       3.5
      64.0       1.4
      65.0      16.8
      66.0      22.6
      67.0       1.5
      74.0       1.1
      93.0       1.5
      94.0     100.0
      95.0       6.6

in DMSO-d6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₆ O	15.6 mg : 0.5 ml CDCl₃
phenol

    Assign.     Shift(ppm)

      A             7.240
      B             6.931
      C             6.838
      D             5.35

     Hz     ppm     Int.

   2901.98   7.262    581
   2901.00   7.259    227
   2899.78   7.256    219
   2896.85   7.249    144
   2895.75   7.246    432
   2894.53   7.243    870
   2893.31   7.240    786
   2890.99   7.234    153
   2887.94   7.227    274
   2886.72   7.224    341
   2885.86   7.221    722
   2777.95   6.951    196
   2776.98   6.949    344
   2775.88   6.946    203
   2770.75   6.933    269
   2769.53   6.930    588
   2768.68   6.928    268
   2763.18   6.915    167
   2762.21   6.912    274
   2761.11   6.909    156
   2739.50   6.855    129
   2738.65   6.853    167
   2737.30   6.850    851
   2736.21   6.847   1000
   2735.35   6.845    472
   2734.13   6.842    271
   2730.71   6.833    308
   2729.74   6.831    489
   2728.64   6.828    893
   2727.66   6.826    730
   2726.56   6.823    154
   2139.28   5.353    400

in DMSO-d6

in CDCl3