712-50-5

環(huán)己基苯基甲酮(712-50-5)紅外圖譜(IR1)

產(chǎn)品名稱:環(huán)己基苯基甲酮

CAS:712-50-5

分子式:C13H16O

分子量: 188.27

InChI:InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2

InChIKey: BMFYCFSWWDXEPB-UHFFFAOYSA-N

Smiles:C(C1CCCCC1)(C1=CC=CC=C1)=O

Mass

MS-NW-8722          
cyclohexyl phenyl ketone
C13H16O             (Mass of molecular ion:    188)

   Source Temperature: 270 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.7
      29.0       1.3
      39.0       2.3
      41.0       6.0
      50.0       1.1
      51.0       5.1
      53.0       1.0
      54.0       1.3
      55.0       8.9
      67.0       2.3
      77.0      24.7
      78.0       2.3
      79.0       1.1
      83.0       1.9
     105.0     100.0
     106.0       7.8
     107.0       2.9
     120.0       5.3
     133.0      10.2
     134.0       1.0
     147.0       1.3
     187.0       1.6
     188.0      15.5
     189.0       2.3

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₆ O	0.067 g : 0.5 ml CDCl₃
cyclohexyl phenyl ketone

    Assign.     Shift(ppm)

      A             7.942
      B             7.527
      C             7.449
      D             3.260
      E             1.88
      F             1.84
      G             1.732
      J             1.50
      K             1.39
      L             1.271

     Hz     ppm     Int.

   3180.66   7.959    167
   3178.71   7.954    662
   3177.61   7.951    790
   3172.49   7.939    301
   3170.53   7.934    934
   3169.07   7.930    764
   3018.43   7.553    115
   3017.09   7.550    203
   3015.75   7.546    137
   3011.96   7.537    167
   3009.77   7.532    487
   3007.57   7.526    200
   3003.78   7.517    275
   3002.32   7.513    445
   3000.98   7.510    262
   2996.95   7.499     41
   2989.62   7.481     50
   2988.16   7.477     62
   2985.11   7.470    203
   2983.76   7.466    580
   2983.15   7.465    699
   2981.69   7.461    367
   2976.81   7.449    604
   2975.46   7.446   1000
   2969.85   7.432    216
   2968.26   7.428    440
   2967.29   7.425    311
   2962.77   7.414     38
   1317.38   3.297     88
   1314.21   3.289    163
   1311.16   3.281    102
   1306.15   3.269    174
   1302.98   3.261    316
   1299.80   3.253    189
   1295.04   3.241     97
   1291.75   3.233    170
   1288.33   3.224     98
    762.45   1.908    297
    761.72   1.906    302
    760.38   1.903    306
    754.15   1.888    192
    749.02   1.875    440
    746.34   1.868    489
    745.48   1.866    493
    744.14   1.862    459
    740.97   1.855    357
    737.55   1.846    259
    735.11   1.840    216
    733.89   1.837    221
    731.69   1.831    290
    728.39   1.823    364
    725.46   1.816    260
    705.57   1.766     44
    702.76   1.759    104
    701.29   1.755    139
    699.71   1.751    163
    698.24   1.748    179
    696.66   1.744    150
    695.07   1.740    131
    693.48   1.736    112
    691.89   1.732    101
    690.06   1.727    125
    688.96   1.724    145
    687.26   1.720    161
    685.79   1.716    175
    684.08   1.712    148
    682.37   1.708    122
    618.53   1.548    136
    615.60   1.541    118
    605.47   1.516    321
    603.03   1.509    299
    591.80   1.481    369
    586.18   1.467     63
    581.30   1.455    235
    574.46   1.438    195
    571.29   1.430    131
    564.82   1.414    245
    562.01   1.407    363
    559.08   1.399    219
    555.42   1.390     75
    552.49   1.383    242
    549.32   1.375    360
    546.39   1.368    208
    539.79   1.351    107
    536.62   1.343    165
    533.81   1.336     97
    525.39   1.315     96
    522.46   1.308    144
    519.29   1.300     81
    513.43   1.285    137
    510.13   1.277    224
    506.84   1.269    111
    501.22   1.255     98
    497.92   1.246    164
    494.63   1.238     79
    488.77   1.223     36
    485.47   1.215     52

¹H NMR	89.56 MHz
C₁₃ H₁₆ O	0.043 g : 0.5 ml CDCl₃
cyclohexyl phenyl ketone

    Assign.     Shift(ppm)

      A             7.93
      B          7.68 to 7.29
      C             3.27
      D          2.19 to 0.91

     Hz     ppm     Int.

    716.00   7.995    472
    714.25   7.976    533
    712.31   7.954    266
    711.31   7.943    278
    710.75   7.937    277
    708.94   7.916    471
    707.63   7.902    278
    706.31   7.887    716
    704.81   7.870    147
    677.31   7.563    169
    675.94   7.548    228
    675.63   7.544    229
    674.81   7.535    215
    672.19   7.506   1000
    670.94   7.492    937
    670.00   7.482    522
    668.25   7.462    354
    666.50   7.442    365
    665.75   7.434    390
    664.75   7.423    521
    662.06   7.393    130
    661.44   7.386    162
    659.69   7.366    175
    164.69   1.839    603
    129.38   1.445    486
    120.81   1.349    455

in CDCl3