6742-54-7

十一烷基苯(6742-54-7)質(zhì)譜(MS)

產(chǎn)品名稱:十一烷基苯

CAS:6742-54-7

分子式:C17H28

分子量: 232.4

InChI:InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3

InChIKey: XBEADGFTLHRJRB-UHFFFAOYSA-N

Smiles:C1(CCCCCCCCCCC)=CC=CC=C1

Mass

MS2015-05124CW      
undecylbenzene
C17H28              (Mass of molecular ion:    232)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      27.0       1.1
      29.0       1.8
      39.0       1.5
      41.0       5.0
      43.0       5.5
      55.0       2.8
      57.0       4.4
      65.0       3.9
      69.0       1.2
      71.0       2.0
      77.0       2.6
      78.0       3.6
      79.0       2.4
      85.0       2.0
      91.0      69.7
      92.0     100.0
      93.0       7.0
     103.0       1.9
     104.0       6.1
     105.0      10.2
     106.0       2.0
     115.0       1.3
     117.0       2.5
     119.0       3.4
     120.0       1.1
     133.0       9.9
     134.0       3.1
     147.0       1.6
     232.0      40.1
     233.0       8.5

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₇ H₂₈	0.04 ml : 0.5 ml CDCl₃
undecylbenzene

    Assign.     Shift(ppm)

      A          7.46 to 6.93
      B             2.58
      C             1.60
      D             1.26
      E             0.89

     Hz     ppm     Int.

    650.06   7.259     54
    647.81   7.234     52
    645.56   7.209    332
    644.13   7.193    314
    640.50   7.152     47
    639.94   7.146     42
    638.06   7.125     33
    636.63   7.109     33
    239.81   2.678     36
    232.88   2.601     71
    225.00   2.513     68
    224.88   2.511     68
    129.88   1.451     30
    129.38   1.445     31
    128.38   1.434     32
    127.75   1.427     33
    124.81   1.394     40
    122.56   1.369     51
    112.56   1.257   1000
     83.88   0.937     53
     82.19   0.918     46
     81.81   0.914     45
     78.69   0.879    159
     72.75   0.813     36
     72.63   0.811     36

in CDCl3