ChemicalBook
English   Japanese   Germany   Korea

1009-14-9

苯戊酮(1009-14-9)Raman光谱

产品名称:苯戊酮

CAS:1009-14-9

分子式:C11H14O

分子量: 162.23

InChI:InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

InChIKey: XKGLSKVNOSHTAD-UHFFFAOYSA-N

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

  • 图谱
    Mass

    MS-NW-5218          
    valerophenone
    C11H14O             (Mass of molecular ion:    162)
    

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

          27.0       5.0
          28.0       3.3
          29.0       4.1
          39.0       3.0
          41.0       3.1
          50.0       3.4
          51.0      12.6
          52.0       1.1
          55.0       2.4
          57.0       1.3
          76.0       1.7
          77.0      44.8
          78.0       6.9
          91.0       1.5
         105.0     100.0
         106.0       8.0
         120.0      47.2
         121.0       4.2
         133.0       2.8
         162.0       4.7
    

90 MHz in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C11 H14 O 0.04 ml : 0.5 ml CDCl3
    valerophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.95 B 7.51 C 7.47 D 2.95 E 1.72 F 1.41 G 0.96

         Hz     ppm     Int.
    

        717.38   8.011    490
        715.69   7.992    464
        713.88   7.971    229
        712.88   7.960    194
        712.06   7.951    192
        710.13   7.930    356
        709.00   7.917    186
        707.63   7.902    669
        706.13   7.885    120
        677.69   7.567    165
        676.44   7.553    181
        676.06   7.549    183
        674.69   7.534    146
        673.19   7.517    488
        672.19   7.506    849
        671.00   7.493    772
        669.88   7.480    412
        668.94   7.470    343
        668.63   7.466    347
        666.38   7.441    276
        665.38   7.430    288
        664.75   7.423    442
        664.25   7.417    433
        662.38   7.396     76
        661.50   7.387     81
        661.00   7.381    106
        659.44   7.364    175
        658.88   7.357     63
        657.63   7.343     67
        655.75   7.322     94
        272.19   3.040    297
        265.31   2.963    634
        264.63   2.955    417
        257.69   2.878    519
        162.38   1.814    188
        159.88   1.786    102
        159.44   1.781     89
        157.44   1.758     84
        155.69   1.739    235
        154.38   1.724    218
        152.56   1.704    154
        150.69   1.683     71
        148.63   1.660    173
        148.00   1.653    212
        147.06   1.643    233
        146.13   1.632    124
        145.38   1.624     98
        143.31   1.601    117
        141.75   1.583    120
        141.00   1.575    148
        140.13   1.565     96
        139.56   1.559     80
        137.75   1.539    114
        137.38   1.534    115
        136.75   1.527    142
        136.13   1.520    182
        131.63   1.470    159
        130.94   1.463    166
        130.06   1.453    166
        128.56   1.436    241
        127.00   1.419     82
        126.38   1.412     82
        124.25   1.388    179
        121.88   1.361    233
        121.13   1.353    170
        120.13   1.342     90
        119.69   1.337     80
        118.13   1.320     75
        115.38   1.289    197
        114.13   1.275    111
        108.75   1.215     95
         92.56   1.034    311
         91.50   1.022    550
         90.94   1.016    484
         87.88   0.982     62
         87.25   0.975     62
         85.06   0.950   1000
         80.50   0.899     68
         78.88   0.881    176
         77.63   0.867    234
         75.81   0.847    139
    

in CDCl3

  • 图谱

liquid film

  • 图谱

4880 A,150M,liquid

  • 图谱

×