二苯胺(122-39-4)紅外圖譜(IR3)

產(chǎn)品名稱:二苯胺

CAS:122-39-4

分子式:C12H11N

分子量: 169.22

InChI:InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

InChIKey: DMBHHRLKUKUOEG-UHFFFAOYSA-N

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

Mass

MS-NW-0485          
diphenylamine
C12H11N             (Mass of molecular ion:    169)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       3.0
      28.0       1.1
      37.0       1.2
      38.0       3.6
      39.0      13.2
      40.0       1.9
      41.0       1.1
      50.0       6.6
      51.0      22.5
      52.0       4.4
      58.5       1.0
      62.0       1.6
      63.0       5.6
      64.0       3.8
      65.0      10.6
      66.0      12.2
      67.0       1.0
      70.5       1.3
      71.5       1.6
      74.0       2.1
      75.0       1.7
      76.0       1.8
      77.0      15.4
      78.0       2.9
      83.5       5.9
      84.0       1.3
      84.5       1.7
      89.0       2.0
      90.0       1.3
      91.0       2.0
      92.0       1.7
      93.0       1.2
     104.0       2.0
     115.0       5.5
     116.0       1.3
     128.0       1.5
     139.0       2.7
     140.0       2.2
     141.0       4.5
     142.0       2.8
     143.0       1.8
     154.0       2.5
     166.0       3.1
     167.0      19.1
     168.0      35.9
     169.0     100.0
     170.0      13.1

in DMSO-d6

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₁ N	0.040 g : 0.5 ml CDCl₃
diphenylamine

    Assign.     Shift(ppm)

      A             7.241
      B             7.041
      C             6.910
      D             5.63

     Hz     ppm     Int.

   2906.74   7.274     37
   2904.42   7.268    112
   2902.34   7.263    581
   2900.39   7.258    231
   2897.22   7.250    163
   2895.02   7.244    843
   2893.80   7.241    897
   2891.85   7.236    169
   2888.43   7.228    293
   2886.47   7.223    790
   2884.40   7.218    131
   2820.68   7.058    196
   2818.85   7.054    836
   2817.63   7.051   1000
   2815.55   7.046    297
   2812.13   7.037    301
   2811.16   7.035    490
   2810.18   7.032    814
   2809.08   7.029    721
   2806.76   7.024    117
   2769.65   6.931    228
   2768.55   6.928    377
   2767.46   6.925    209
   2762.21   6.912    324
   2761.23   6.910    631
   2760.25   6.907    310
   2757.32   6.900     35
   2755.00   6.894    191
   2753.91   6.891    307
   2752.69   6.888    170
   2251.59   5.634    104

¹H NMR	89.56 MHz
C₁₂ H₁₁ N	0.039 g : 0.5 ml CDCl₃
diphenylamine

    Assign.     Shift(ppm)

      A             7.22
      B             7.04
      C             6.92
      D             5.6

     Hz     ppm     Int.

    658.06   7.348    123
    657.00   7.336    193
    655.19   7.316    105
    650.81   7.267    323
    649.44   7.252    451
    648.31   7.239    406
    647.25   7.228    158
    644.56   7.197    194
    642.44   7.174    609
    642.00   7.169    517
    641.63   7.165    539
    640.25   7.149    202
    637.81   7.122     50
    635.00   7.091    543
    633.63   7.075    839
    633.13   7.070   1000
    630.75   7.043    207
    628.06   7.013    185
    627.63   7.008    199
    627.06   7.002    208
    626.19   6.992    559
    624.75   6.976    439
    623.00   6.957    160
    621.44   6.939     58
    619.94   6.923    156
    618.63   6.908    181
    617.75   6.898    357
    615.25   6.870     97
    612.44   6.839     93
    610.81   6.821    145
    609.31   6.804     75

in DMSO-d6

in CDCl3