1205-64-7

3-甲基二苯胺(1205-64-7)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):3-甲基二苯胺

CAS:1205-64-7

分子式:C13H13N

分子量: 183.25

InChI:InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3

InChIKey: TWPMMLHBHPYSMT-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-0584          
3-methyldiphenylamine
C13H13N             (Mass of molecular ion:    183)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.0
      39.0       4.8
      41.0       1.0
      50.0       1.5
      51.0       6.4
      52.0       1.8
      63.0       2.9
      64.0       1.5
      65.0       7.2
      66.0       3.3
      76.0       1.6
      77.0      10.4
      77.5       1.5
      78.0       3.2
      79.0       3.7
      80.0       3.2
      83.5       3.6
      84.0       1.0
      89.0       2.3
      89.5       1.8
      90.0       5.4
      90.5       9.1
      91.0       6.8
      91.5       1.3
      92.0       1.1
     104.0       1.3
     106.0       1.1
     115.0       2.2
     128.0       1.6
     139.0       1.3
     140.0       1.2
     141.0       2.1
     152.0       1.4
     153.0       1.1
     154.0       1.4
     155.0       1.2
     156.0       1.2
     166.0       3.1
     167.0      32.0
     168.0      14.8
     169.0       3.5
     180.0       5.9
     181.0       4.1
     182.0      26.1
     183.0     100.0
     184.0      14.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
3-methyldiphenylamine

    Assign.     Shift(ppm)

      A             7.201
      B             7.099
      C             6.988
      D             6.873
      E             6.82
      F             6.81
      G             6.709
      J             5.5
      K             2.248

     Hz     ppm     Int.

   2886.72   7.224    189
   2884.64   7.218     71
   2881.47   7.210     41
   2879.27   7.205    277
   2878.05   7.202    310
   2876.10   7.197     58
   2872.68   7.188     91
   2870.73   7.184    282
   2868.65   7.178     45
   2845.70   7.121     76
   2844.48   7.118     51
   2838.26   7.102    133
   2837.16   7.100    150
   2830.81   7.084     81
   2829.71   7.081     98
   2799.44   7.005     52
   2797.61   7.001    271
   2796.39   6.998    342
   2794.43   6.993    102
   2790.89   6.984     92
   2789.92   6.981    156
   2788.94   6.979    291
   2787.84   6.976    253
   2785.64   6.971     40
   2754.76   6.893     68
   2753.66   6.891    113
   2752.56   6.888     63
   2747.56   6.875    101
   2746.34   6.872    197
   2745.48   6.870    102
   2740.11   6.857     59
   2739.01   6.854     96
   2737.92   6.851     52
   2730.35   6.832     76
   2728.52   6.828    119
   2721.31   6.810    349
   2720.70   6.808    344
   2684.69   6.718    125
   2684.08   6.717    112
   2677.61   6.700    118
   2677.00   6.699    117
    898.56   2.249   1000

in CDCl3