3840-18-4

2-甲基-2'-氨基二苯醚(3840-18-4)質(zhì)譜(MS)

產(chǎn)品名稱:2-甲基-2'-氨基二苯醚

CAS:3840-18-4

分子式:C13H13NO

分子量: 199.25

InChI:InChI=1S/C13H13NO/c1-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-9H,14H2,1H3

InChIKey: JYJPXACGURQSCB-UHFFFAOYSA-N

Smiles:C1(N)=CC=CC=C1OC1=CC=CC=C1C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6664          
o-(o-tolyloxy)aniline
C13H13NO            (Mass of molecular ion:    199)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       2.1
      28.0       1.4
      38.0       1.1
      39.0       7.4
      41.0       1.8
      50.0       1.3
      51.0       3.6
      52.0       4.1
      53.0       4.6
      54.0       1.1
      63.0       3.3
      64.0       2.0
      65.0      11.9
      66.0       1.9
      77.0       2.8
      78.0       1.6
      79.0       3.1
      80.0      17.3
      81.0       1.4
      89.0       2.0
      90.0       1.1
      91.0      10.2
      92.0       5.2
      93.0      42.1
      94.0       3.6
     104.0       1.1
     106.0       5.3
     107.0       1.8
     108.0      20.1
     109.0       2.7
     128.0       1.6
     129.0       1.1
     130.0       1.3
     153.0       1.1
     154.0       1.7
     155.0       1.0
     156.0       1.8
     167.0       1.4
     170.0       2.5
     180.0       3.6
     181.0       6.4
     182.0       4.9
     183.0       4.5
     184.0       5.0
     185.0       1.1
     196.0       1.3
     198.0       6.0
     199.0     100.0
     200.0      14.4
     201.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₃ N O	0.05 ml : 0.5 ml CDCl₃
o-(o-tolyloxy)aniline

    Assign.     Shift(ppm)

      A             7.203
      B             7.081
      C             6.983
      D             6.893
      E             6.780
      F             6.752
      G             6.66
      J             6.634
      K             3.73
      L             2.281

     Hz     ppm     Int.

   2881.84   7.211    119
   2875.49   7.196    129
   2874.51   7.193    139
   2838.62   7.103     54
   2836.91   7.099     58
   2831.05   7.084    120
   2829.47   7.080    126
   2823.24   7.065     88
   2821.78   7.061     85
   2797.61   7.001    109
   2796.26   6.997    126
   2790.16   6.982    160
   2788.94   6.979    181
   2782.71   6.963     69
   2781.49   6.960     75
   2763.31   6.915     84
   2761.23   6.910     91
   2760.99   6.909     91
   2756.47   6.898     99
   2755.25   6.895    129
   2754.52   6.893    132
   2753.42   6.890    138
   2748.66   6.878    119
   2746.70   6.873    133
   2714.23   6.792    168
   2713.13   6.789    182
   2706.18   6.772    156
   2705.08   6.769    169
   2702.64   6.763    195
   2701.29   6.760    218
   2694.95   6.744    160
   2693.36   6.740    174
   2667.72   6.676     54
   2665.77   6.671     99
   2659.79   6.656    273
   2657.59   6.650    407
   2656.13   6.647    244
   2650.76   6.633    158
   2649.29   6.630    186
   2648.19   6.627     76
   2642.70   6.613     53
   2641.36   6.610     56
   1488.77   3.726    157
    911.62   2.282   1000

in CDCl3