4-苯氧基苯酚(831-82-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:4-苯氧基苯酚

CAS:831-82-3

分子式:C12H10O2

分子量: 186.21

InChI:InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H

InChIKey: ZSBDGXGICLIJGD-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(OC2=CC=CC=C2)C=C1

Mass

MS-IW-3875          
p-phenoxyphenol
C12H10O2            (Mass of molecular ion:    186)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      27.0       2.7
      38.0       1.2
      39.0       6.6
      50.0       2.7
      51.0      10.8
      52.0       1.9
      53.0       3.5
      54.0       1.1
      55.0       1.5
      63.0       3.0
      64.0       1.8
      65.0       3.9
      77.0      14.7
      78.0       9.3
      79.0       1.2
      81.0       6.3
      82.0       1.1
      93.0       2.5
     103.0       1.2
     109.0      14.4
     110.0       5.3
     115.0       3.5
     127.0       1.4
     128.0       3.2
     129.0       7.4
     130.0       1.7
     131.0       2.5
     141.0       1.1
     157.0       8.9
     158.0       6.6
     185.0       4.2
     186.0     100.0
     187.0      13.3
     188.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₀ O₂	0.039 g : 0.5 ml CDCl₃
p-phenoxyphenol

    Assign.     Shift(ppm)

      A             7.285
      B             7.037
      C             6.94
      D             6.92
      E             6.802
      F             5.34

     Hz     ppm     Int.

   2922.61   7.313     50
   2920.29   7.308    305
   2918.09   7.302    124
   2915.28   7.295     67
   2912.84   7.289    448
   2911.62   7.286    438
   2909.30   7.280     84
   2906.25   7.272    157
   2904.17   7.267    421
   2901.86   7.262     69
   2820.56   7.058    102
   2819.46   7.055    199
   2818.48   7.053    125
   2813.48   7.040    122
   2812.99   7.039    154
   2812.13   7.037    328
   2810.79   7.034    143
   2805.91   7.021     86
   2804.81   7.019    156
   2803.71   7.016     96
   2780.27   6.957     83
   2779.54   6.955     94
   2778.20   6.952    444
   2776.98   6.949    545
   2774.90   6.944    162
   2773.07   6.939     88
   2771.36   6.935    184
   2769.41   6.930   1000
   2768.43   6.928    555
   2767.09   6.924    310
   2762.82   6.914    262
   2760.38   6.907    891
   2756.84   6.899    118
   2725.83   6.821    102
   2722.29   6.812    874
   2719.85   6.806    280
   2715.58   6.795    221
   2713.26   6.790    656
   2709.72   6.781     65
   2140.38   5.356    133
   2132.45   5.336    199

in CDCl3