5369-16-4

3-异丙基苯胺(5369-16-4)核磁图(¹³CNMR)

产品名称:3-异丙基苯胺

CAS:5369-16-4

分子式:C9H13N

分子量: 135.21

InChI:InChI=1S/C9H13N/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3

InChIKey: XCCNRBCNYGWTQX-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4778          
m-isopropylaniline
C9H13N              (Mass of molecular ion:    135)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.2
      28.0       1.8
      39.0       3.9
      41.0       2.4
      42.0       2.7
      51.0       2.1
      52.0       1.5
      53.0       1.5
      54.0       1.2
      58.5       4.8
      59.0       1.1
      59.5       1.7
      60.0       2.9
      63.0       1.6
      65.0       6.3
      65.5       1.2
      66.0       2.5
      66.5       1.3
      67.0       1.1
      77.0       8.0
      78.0       1.7
      79.0       2.2
      80.0       1.4
      89.0       1.0
      91.0       7.6
      92.0       3.8
      93.0       9.9
      94.0       7.4
     103.0       9.1
     104.0       1.8
     106.0       5.9
     107.0      10.1
     117.0       2.4
     118.0       5.5
     119.0       5.7
     120.0     100.0
     121.0       9.8
     134.0       3.5
     135.0      57.0
     136.0       6.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
m-isopropylaniline

    Assign.     Shift(ppm)

      A             7.056
      B             6.624
      C             6.520
      D             6.464
      E             3.54
      F             2.782
      G             1.205

     Hz     ppm     Int.

   2827.88   7.076     91
   2820.19   7.057    175
   2812.50   7.038    102
   2652.59   6.638     60
   2651.98   6.636     71
   2651.61   6.635     76
   2651.00   6.634    103
   2650.39   6.632     80
   2649.90   6.631     79
   2649.41   6.630     66
   2644.90   6.619     54
   2644.41   6.617     65
   2643.92   6.616     70
   2643.31   6.615     96
   2642.70   6.613     74
   2642.33   6.612     69
   2641.72   6.611     62
   2607.91   6.526    101
   2607.42   6.525     82
   2606.20   6.522    136
   2605.59   6.520    148
   2603.88   6.516    112
   2588.99   6.479     90
   2588.01   6.476     94
   2586.55   6.473     79
   2585.69   6.470     76
   2581.05   6.459     85
   2580.20   6.457     86
   2578.74   6.453     75
   2577.76   6.451     71
   1119.02   2.800     64
   1112.06   2.783     84
   1105.22   2.766     65
    485.11   1.214   1000
    478.15   1.197    965

in CDCl3