139-59-3

4-氨基二苯醚(139-59-3)質(zhì)譜(MS)

產(chǎn)品名稱:4-氨基二苯醚

CAS:139-59-3

分子式:C12H11NO

分子量: 185.22

InChI:InChI=1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2

InChIKey: WOYZXEVUWXQVNV-UHFFFAOYSA-N

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

Mass

MS-NW-7804          
p-phenoxyaniline
C12H11NO            (Mass of molecular ion:    185)

   Source Temperature: 170 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      26.0       3.3
      27.0      11.1
      28.0      13.5
      29.0       1.0
      30.0       1.6
      37.0       3.3
      38.0      10.2
      39.0      35.4
      40.0       3.3
      41.0       5.7
      42.0       2.1
      49.0       1.1
      50.0      15.7
      51.0      42.3
      52.0      21.9
      53.0      32.1
      54.0      11.3
      55.0       1.3
      61.0       2.1
      62.0       6.0
      63.0      12.9
      64.0       5.6
      65.0      21.2
      66.0       4.4
      74.0       4.0
      75.0       3.0
      76.0       3.0
      77.0      26.2
      78.0       6.1
      79.0       3.1
      80.0      79.0
      81.0       5.7
      89.0       1.2
      90.0       1.0
      91.0       1.7
      92.0       1.9
     102.0       1.5
     103.0       1.6
     108.0      86.8
     109.0       7.8
     115.0       2.4
     127.0       2.1
     128.0       4.9
     129.0       6.7
     130.0       4.4
     139.0       1.4
     141.0       1.1
     154.0       1.6
     156.0      13.4
     157.0       4.3
     184.0       2.2
     185.0     100.0
     186.0      14.2
     187.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₁ N O	0.034 g : 0.5 ml CDCl₃
p-phenoxyaniline

    Assign.     Shift(ppm)

      A             7.269
      B             7.006
      C             6.927
      D             6.867
      E             6.665
      F             3.5

     Hz     ppm     Int.

   2916.14   7.297     57
   2913.94   7.292    406
   2911.74   7.286    147
   2908.94   7.279     78
   2906.49   7.273    571
   2905.27   7.270    534
   2902.83   7.264     85
   2899.78   7.256    187
   2897.83   7.251    530
   2895.39   7.245     79
   2807.98   7.027    133
   2806.88   7.024    245
   2805.79   7.021    141
   2800.78   7.009    168
   2799.56   7.006    407
   2798.71   7.003    192
   2793.21   6.990    109
   2792.11   6.987    191
   2791.02   6.984    105
   2775.15   6.944     96
   2774.41   6.943    104
   2773.07   6.939    560
   2771.85   6.936    660
   2771.12   6.934    332
   2769.78   6.931    173
   2766.24   6.922    191
   2765.26   6.920    315
   2764.28   6.917    585
   2763.18   6.915    484
   2760.62   6.908     66
   2752.56   6.888     78
   2749.15   6.879    845
   2746.95   6.874    276
   2742.68   6.863    309
   2740.36   6.857   1000
   2736.94   6.849    112
   2670.78   6.683    105
   2667.48   6.675   1000
   2665.16   6.669    296
   2660.89   6.659    269
   2658.69   6.653    741
   2655.27   6.644     76

in CDCl3