2189-60-8

1-苯基辛烷(2189-60-8)質(zhì)譜(MS)

產(chǎn)品名稱:1-苯基辛烷

CAS:2189-60-8

分子式:C14H22

分子量: 190.32

InChI:InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3

InChIKey: CDKDZKXSXLNROY-UHFFFAOYSA-N

Smiles:C1(CCCCCCCC)=CC=CC=C1

Mass

MS-NW-5802          
octylbenzene
C14H22              (Mass of molecular ion:    190)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       4.4
      29.0       6.7
      39.0       4.2
      41.0      10.0
      42.0       1.5
      43.0      10.6
      51.0       2.2
      53.0       1.0
      55.0       3.3
      56.0       1.7
      57.0      16.7
      63.0       1.1
      65.0       5.9
      69.0       1.5
      70.0       1.0
      77.0       3.2
      78.0       5.2
      79.0       2.8
      91.0      76.4
      92.0     100.0
      93.0       8.1
     103.0       1.7
     104.0       5.2
     105.0       9.6
     106.0       1.9
     115.0       1.2
     117.0       2.6
     119.0       2.5
     133.0       5.9
     134.0       1.6
     147.0       1.5
     190.0      27.1
     191.0       4.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₂₂	0.04 ml : 0.5 ml CDCl₃
octylbenzene

    Assign.     Shift(ppm)

      A          7.43 to 6.98
      B             2.59
      C             1.60
      D             1.28
      E             0.88

     Hz     ppm     Int.

    652.94   7.291     65
    650.44   7.263    163
    648.00   7.236    149
    645.88   7.212   1000
    644.50   7.197    936
    641.88   7.168    152
    640.63   7.154    126
    640.13   7.148    105
    638.88   7.134     73
    638.25   7.127     94
    636.94   7.112     88
    240.25   2.683    107
    239.94   2.680    110
    233.25   2.605    217
    225.25   2.516    201
    143.00   1.597     84
    113.94   1.273    976
     83.81   0.936    153
     81.88   0.915    125
     81.44   0.910    125
     80.88   0.904    126
     78.56   0.878    461
     74.56   0.833     63
     72.44   0.809     94

in CDCl3