6005-99-8

苯正十三烷基酮(6005-99-8)紅外圖譜(IR1)

產(chǎn)品名稱:苯正十三烷基酮

CAS:6005-99-8

分子式:C19H30O

分子量: 274.44

InChI:InChI=1S/C19H30O/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3

InChIKey: ZZNDQCACFUJAKJ-UHFFFAOYSA-N

Smiles:C(C1=CC=CC=C1)(=O)CCCCCCCCCCCC

Mass

MS-NW-7056          
tridecanophenone
C19H30O             (Mass of molecular ion:    274)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       6.2
      28.0       1.3
      29.0      12.5
      39.0       3.5
      41.0      18.5
      42.0       4.0
      43.0      16.6
      50.0       1.1
      51.0       6.3
      53.0       1.1
      55.0       9.8
      56.0       2.5
      57.0       5.1
      67.0       1.0
      69.0       2.7
      71.0       1.1
      76.0       1.2
      77.0      29.5
      78.0       5.5
      79.0       1.1
      91.0       2.2
     105.0      62.5
     106.0       5.1
     107.0       1.0
     120.0     100.0
     121.0      11.4
     133.0      10.0
     134.0       1.5
     274.0       7.8
     275.0       2.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₉ H₃₀ O	0.041 g : 0.5 ml CDCl₃
tridecanophenone

    Assign.     Shift(ppm)

      A             7.95
      B             7.49
      C             2.96
      D             1.72
      E             1.26
      F             0.878

     Hz     ppm     Int.

    717.50   8.012     70
    715.75   7.992     79
    710.25   7.931     69
    707.81   7.904    103
    673.56   7.521     89
    672.50   7.509    147
    671.56   7.499    130
    670.38   7.486     68
    670.25   7.484     68
    669.25   7.473     66
    665.81   7.435     60
    665.13   7.427     75
    271.94   3.037     50
    265.00   2.959    110
    257.44   2.875     82
    155.56   1.737     36
    112.75   1.259   1000
     84.56   0.945     54
     83.56   0.934     59
     83.25   0.930     56
     82.94   0.927     56
     82.25   0.919     56
     81.50   0.911     55
     80.75   0.902     58
     78.75   0.880    155
     76.63   0.856     49
     75.25   0.841     37
     74.94   0.837     37
     74.44   0.832     37
     74.13   0.828     35
     73.69   0.823     38
     72.69   0.812     46
     71.88   0.803     39
     71.56   0.800     38
     71.00   0.793     31

in CDCl3