101-54-2

對氨基二苯胺(101-54-2)質(zhì)譜(MS)

產(chǎn)品名稱:對氨基二苯胺

CAS:101-54-2

分子式:C12H12N2

分子量: 184.24

InChI:InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2

InChIKey: ATGUVEKSASEFFO-UHFFFAOYSA-N

Smiles:C1(NC2=CC=CC=C2)=CC=C(N)C=C1

Mass

MS-NW-0736          
N-phenyl-p-phenylenediamine
C12H12N2            (Mass of molecular ion:    184)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       1.1
      39.0       2.3
      51.0       2.8
      52.0       1.9
      53.0       2.0
      63.0       1.3
      65.0       3.4
      66.0       1.2
      77.0       3.5
      78.0       1.5
      79.0       1.3
      80.0       5.6
      81.0       2.1
      83.5       1.7
      91.0       5.7
      91.5       1.9
      92.0       5.5
      93.0       1.6
     106.0       1.0
     107.0      15.0
     108.0       1.1
     118.0       2.4
     128.0       1.4
     129.0       1.0
     130.0       1.3
     154.0       1.5
     156.0       1.8
     166.0       4.4
     167.0       4.1
     168.0       1.5
     181.0       2.1
     182.0       4.6
     183.0      12.7
     184.0     100.0
     185.0      13.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₂ N₂	0.038 g : 0.5 ml CDCl₃
N-phenyl-p-phenylenediamine

    Assign.     Shift(ppm)

      A             7.172
      B             6.948
      C             6.831
      D             6.777
      E             6.633
      F             5.39
      G             3.51

     Hz     ppm     Int.

   2876.59   7.198     64
   2874.51   7.193    411
   2873.66   7.191    180
   2872.44   7.188    154
   2869.51   7.181     84
   2867.92   7.177    212
   2867.19   7.175    544
   2865.84   7.171    558
   2863.77   7.166     97
   2860.60   7.158    173
   2859.50   7.156    191
   2858.52   7.153    501
   2856.45   7.148     73
   2784.55   6.968     93
   2781.37   6.960    835
   2779.05   6.954    279
   2777.10   6.949     48
   2776.86   6.949     48
   2774.90   6.944    297
   2772.58   6.938    960
   2769.53   6.930    103
   2736.57   6.848     91
   2735.72   6.846    117
   2734.50   6.843    508
   2733.40   6.840    679
   2732.54   6.838    345
   2731.32   6.835    195
   2727.91   6.826    165
   2726.81   6.823    290
   2725.83   6.821    555
   2724.85   6.819    512
   2722.53   6.813     70
   2716.80   6.798    146
   2715.70   6.796    233
   2714.60   6.793    131
   2709.35   6.780    187
   2708.37   6.777    395
   2707.52   6.775    175
   2702.15   6.762    114
   2701.05   6.759    199
   2699.95   6.756    109
   2658.20   6.652    122
   2655.15   6.644   1000
   2652.83   6.638    324
   2650.88   6.634     48
   2648.56   6.628    294
   2646.36   6.622    850
   2643.19   6.614     92
   2155.64   5.394     71
   2155.15   5.393     72
   1402.83   3.511    123
   1402.34   3.509    123

in CDCl3