1081-77-2

正壬基苯(1081-77-2)質譜(MS)

產品名稱:正壬基苯

CAS:1081-77-2

分子式:C15H24

分子量: 204.35

InChI:InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3

InChIKey: LIXVMPBOGDCSRM-UHFFFAOYSA-N

Smiles:C1(CCCCCCCCC)=CC=CC=C1

Mass

MS-NW-5132          
nonylbenzene
C15H24              (Mass of molecular ion:    204)

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

      27.0       3.8
      29.0       6.1
      39.0       3.2
      41.0       9.6
      42.0       1.5
      43.0      13.2
      51.0       1.5
      55.0       3.6
      56.0       1.6
      57.0      11.1
      65.0       4.8
      69.0       1.4
      70.0       1.3
      71.0       5.9
      77.0       3.2
      78.0       4.6
      79.0       2.7
      83.0       1.2
      91.0      73.2
      92.0     100.0
      93.0       8.2
     103.0       1.6
     104.0       3.9
     105.0       9.5
     106.0       2.1
     117.0       1.6
     119.0       2.5
     120.0       1.2
     133.0       5.9
     134.0       1.6
     204.0      22.3
     205.0       4.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₅ H₂₄	0.04 ml : 0.5 ml CDCl₃
nonylbenzene

    Assign.     Shift(ppm)

      A          7.42 to 6.99
      B             2.58
      C             1.60
      D             1.26
      E             0.88

     Hz     ppm     Int.

    657.94   7.347     50
    652.69   7.288     42
    650.06   7.259    116
    647.75   7.233     98
    643.94   7.191    642
    641.69   7.165    139
    640.44   7.151    102
    639.88   7.145     91
    638.75   7.133     58
    638.00   7.124     70
    637.38   7.117     57
    636.63   7.109     68
    239.63   2.676     71
    232.75   2.599    143
    224.81   2.511    139
    142.31   1.589     57
    113.06   1.263   1000
     83.63   0.934    102
     80.81   0.903     85
     78.44   0.876    326
     72.31   0.808     74

in CDCl3