ChemicalBook
English   Japanese   Germany   Korea

104-72-3

癸基苯(104-72-3)核磁图(1HNMR)

产品名称:癸基苯

CAS:104-72-3

分子式:C16H26

分子量: 218.38

InChI:InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3

InChIKey: UZILCZKGXMQEQR-UHFFFAOYSA-N

Smiles:C1(CCCCCCCCCC)=CC=CC=C1

  • 图谱
    Mass

    MS-NW-1016          
    decylbenzene
    C16H26              (Mass of molecular ion:    218)
    

       Source Temperature: 260 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          18.0       1.0
          27.0       3.5
          29.0       6.0
          39.0       3.2
          41.0      10.0
          42.0       1.9
          43.0      15.9
          51.0       1.3
          55.0       4.7
          56.0       1.7
          57.0       7.4
          65.0       3.9
          69.0       1.4
          70.0       1.2
          71.0       4.9
          77.0       2.7
          78.0       4.3
          79.0       2.5
          82.0       1.7
          83.0       2.5
          85.0       2.5
          91.0      63.6
          92.0     100.0
          93.0       7.8
         103.0       1.2
         104.0       4.0
         105.0       8.8
         106.0       1.9
         117.0       1.7
         119.0       2.5
         120.0       1.6
         121.0       1.4
         133.0       6.6
         134.0       2.0
         147.0       1.0
         218.0      19.1
         219.0       3.3
    

400 MHz in CDCl3

90 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C16 H26 15.2 mg : 0.5 ml CDCl3
    decylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.27 B 7.18 C 7.18 D 2.596 E 1.604 F 1.30 G 1.26 J 0.878

         Hz     ppm     Int.
    

       2913.57   7.291    117
       2911.87   7.287     50
       2908.20   7.277     79
       2906.25   7.272    210
       2905.27   7.270    247
       2902.71   7.264     34
       2901.37   7.260     65
       2898.68   7.254    246
       2896.12   7.247    187
       2872.07   7.187    449
       2869.38   7.180     88
       2864.75   7.169    321
       2858.76   7.154     52
       2857.54   7.151     63
       1045.41   2.616    159
       1037.60   2.597    191
       1029.91   2.578    174
        651.00   1.629     52
        649.54   1.626     67
        648.56   1.623     61
        647.71   1.621     58
        645.63   1.616     55
        642.21   1.607    100
        639.89   1.602     71
        638.18   1.597     58
        637.45   1.596     58
        636.84   1.594     65
        634.52   1.588     81
        627.69   1.571     34
        627.08   1.570     37
        538.45   1.348     41
        537.48   1.345     50
        536.74   1.344     55
        536.38   1.343     57
        535.64   1.341     60
        534.79   1.339     62
        534.06   1.337     65
        531.25   1.330    100
        524.66   1.313    204
        524.05   1.312    203
        523.68   1.311    203
        520.51   1.303    273
        518.80   1.299    246
        515.01   1.289    183
        513.06   1.284    198
        512.45   1.283    198
        510.62   1.278    219
        502.69   1.258   1000
        490.23   1.227     70
        489.87   1.226     67
        488.28   1.222     58
        487.79   1.221     56
        486.21   1.217     43
        485.23   1.215     38
        484.50   1.213     35
        357.79   0.896    190
        351.20   0.879    576
        348.75   0.873     86
        344.12   0.862    230
    

  • 图谱

    1H NMR 89.56 MHz
    C16 H26 0.04 ml : 0.5 ml CDCl3
    decylbenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.47 to 6.98 B 2.58 C 1.60 D 1.26 E 0.88

         Hz     ppm     Int.
    

        654.56   7.309     31
        652.69   7.288     42
        650.06   7.259     79
        647.75   7.233     68
        645.50   7.208    429
        644.13   7.193    440
        640.38   7.151     61
        637.94   7.124     43
        636.63   7.109     42
        239.88   2.679     50
        233.06   2.603     99
        225.00   2.513     92
        145.31   1.623     33
        145.06   1.620     33
        144.81   1.617     33
        142.50   1.592     38
        142.31   1.589     38
        139.81   1.562     30
        135.88   1.518     34
        112.88   1.261   1000
         83.75   0.936     72
         81.00   0.905     57
         78.63   0.878    217
         74.31   0.830     34
         72.56   0.811     50
    

in CDCl3

  • 图谱

liquid film

  • 图谱

4880 A,200 M,liquid

  • 图谱

×