128189-46-8

苯十七烷酮(128189-46-8)紅外圖譜(IR1)

分子式:C23H38O

分子量: 330.55

InChI:InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3

InChIKey: VUXIOSYYRVXOOT-UHFFFAOYSA-N

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

Mass

MS-IW-4062          
heptadecanophenone
C23H38O             (Mass of molecular ion:    330)

   Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      29.0       1.7
      41.0       3.9
      43.0       6.4
      51.0       1.0
      55.0       4.4
      56.0       1.0
      57.0       3.2
      69.0       1.8
      71.0       1.0
      77.0      11.8
      78.0       2.3
      91.0       1.0
     105.0      41.5
     106.0       3.3
     120.0     100.0
     121.0      13.5
     122.0       1.0
     133.0       9.8
     134.0       1.2
     330.0      11.9
     331.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₃ H₃₈ O	0.033 g : 0.5 ml CDCl₃
heptadecanophenone

    Assign.     Shift(ppm)

      A             7.963
      B             7.545
      C             7.457
      D             2.958
      E             1.730
      F             1.35
      G             1.29
      J             1.26
      K             0.878

     Hz     ppm     Int.

   3186.65   7.974     76
   3186.04   7.973     67
   3185.30   7.971     97
   3184.08   7.968     41
   3178.22   7.953    115
   3176.88   7.950     97
   3017.09   7.550     54
   3009.64   7.531     53
   2987.55   7.476     60
   2986.94   7.474     79
   2985.47   7.471     36
   2980.47   7.458     61
   2979.25   7.455    110
   2977.78   7.451     32
   2971.92   7.437     52
   2971.07   7.435     35
   1189.70   2.977     78
   1182.50   2.959    103
   1174.93   2.940     87
    692.50   1.733     44
    684.94   1.714     33
    541.99   1.357     37
    539.67   1.351     35
    536.62   1.343     42
    533.45   1.335     35
    526.37   1.318     44
    518.55   1.298     67
    517.70   1.296     67
    501.83   1.256   1000
    358.03   0.896     64
    351.32   0.880    220
    344.24   0.862     80

in CDCl3