4433-30-1

十一苯酮(4433-30-1)红外图谱(IR1)

产品名称:十一苯酮

CAS:4433-30-1

分子式:C17H26O

分子量: 246.39

InChI:InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-12-15-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3

InChIKey: LHJBFOGCFZHBAJ-UHFFFAOYSA-N

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

Mass

MS-NW-7057          
undecanophenone
C17H26O             (Mass of molecular ion:    246)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.2
      27.0       3.2
      29.0       5.7
      39.0       1.8
      41.0       8.6
      42.0       1.5
      43.0       5.8
      51.0       4.5
      55.0       4.4
      57.0       1.5
      69.0       1.1
      77.0      24.5
      78.0       4.7
      91.0       1.5
     105.0      65.6
     106.0       4.9
     120.0     100.0
     121.0      11.1
     133.0      10.4
     134.0       1.4
     246.0      10.9
     247.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₇ H₂₆ O	0.040 g : 0.5 ml CDCl₃
undecanophenone

    Assign.     Shift(ppm)

      A             7.953
      B          7.69 to 7.22
      C             2.944
      D             1.73
      E          1.51 to 1.07
      F             0.88

     Hz     ppm     Int.

    717.31   8.010    120
    715.63   7.991    141
    713.81   7.971     81
    712.81   7.960     73
    712.00   7.950     74
    710.19   7.930    133
    707.69   7.902    175
    677.69   7.567     50
    676.38   7.553     68
    672.13   7.505    265
    671.25   7.495    245
    668.94   7.470    115
    666.38   7.441     91
    664.75   7.423    131
    661.56   7.387     30
    661.19   7.383     30
    659.50   7.364     38
    271.63   3.033     95
    264.69   2.956    198
    257.25   2.873    148
    162.19   1.811     46
    162.06   1.810     46
    159.56   1.782     44
    155.25   1.734     70
    150.44   1.680     64
    149.13   1.666     59
    148.38   1.657     58
    144.00   1.608     33
    143.19   1.599     32
    142.81   1.595     32
    142.25   1.589     32
    141.88   1.585     32
    113.63   1.269   1000
     95.00   1.061     33
     94.88   1.060     33
     94.31   1.054     32
     93.56   1.045     31
     92.63   1.035     31
     91.94   1.027     31
     91.44   1.021     31
     90.00   1.005     33
     83.69   0.935    113
     82.19   0.918    106
     78.63   0.878    263
     72.56   0.811     77

in CDCl3