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4-Phenylcyclohexanone

Product Name 4-Phenylcyclohexanone

CAS4894-75-1

MFC12H14O

MW174.24

¹³CNMR

Mass

MS-NW-6827          
4-phenylcyclohexanone
C12H14O             (Mass of molecular ion:    174)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       7.7
      28.0       3.7
      29.0       4.2
      38.0       1.2
      39.0      11.2
      40.0       1.3
      41.0       7.2
      42.0       1.9
      43.0       1.6
      50.0       4.0
      51.0      10.3
      52.0       3.1
      53.0       2.6
      54.0       1.3
      55.0      12.4
      56.0       4.9
      57.0      20.9
      57.5       2.7
      58.0       8.8
      58.5       1.0
      59.0       2.6
      62.0       1.9
      63.0       6.0
      64.0       2.0
      65.0       7.5
      67.0       1.2
      68.0       1.6
      69.0       1.5
      70.0       1.5
      73.0       3.0
      74.0       1.7
      75.0       1.7
      76.0       2.3
      77.0      11.5
      78.0      12.5
      79.0       2.5
      83.0       2.7
      87.0       1.0
      89.0       4.1
      90.0       1.5
      91.0      71.8
      92.0       6.5
      96.0       1.1
     102.0       3.7
     103.0      12.7
     104.0     100.0
     105.0      12.5
     115.0      21.0
     116.0       6.6
     117.0      62.1
     118.0      23.6
     119.0      66.5
     120.0       7.1
     127.0       2.3
     128.0       3.3
     129.0       5.9
     130.0      14.9
     131.0       5.9
     132.0       4.1
     141.0       2.9
     144.0       1.3
     145.0      16.7
     146.0       6.7
     152.0       1.0
     153.0       1.4
     154.0       2.8
     155.0       1.2
     156.0       2.3
     159.0       3.6
     170.0       1.0
     173.0       1.4
     174.0      92.4
     175.0      12.7
     176.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₄ O	0.042 g : 0.5 ml CDCl₃
4-phenylcyclohexanone

    Assign.     Shift(ppm)

      A             7.319
      B             7.24
      C             7.23
      D             3.019
      E          2.51 to 2.490
      F     *1      2.34
      G     *1      2.20
      J     *2      1.96
      K     *2      1.91

     Hz     ppm     Int.

   2935.06   7.345    225
   2934.08   7.342    356
   2932.50   7.338    169
   2929.44   7.331    115
   2927.73   7.326    566
   2926.51   7.323    618
   2925.78   7.321    529
   2921.39   7.310    260
   2919.43   7.305    689
   2917.48   7.301    179
   2899.90   7.257    491
   2898.44   7.253   1000
   2896.24   7.247    589
   2894.29   7.243    197
   2893.43   7.240    244
   2892.82   7.239    262
   2892.33   7.238    294
   2891.60   7.236    500
   2891.11   7.235    555
   2890.26   7.232    604
   2888.79   7.229    287
   2888.06   7.227    431
   2885.86   7.221    127
   2882.32   7.213    124
   2880.86   7.209    192
   2879.52   7.206     95
   1222.41   3.059     63
   1219.12   3.051    117
   1215.58   3.042     68
   1210.33   3.029    128
   1206.91   3.020    235
   1203.49   3.012    124
   1198.24   2.999     70
   1194.82   2.990    125
   1191.41   2.982     63
   1023.07   2.560     66
   1020.63   2.554     34
   1017.46   2.546     63
   1017.09   2.545     62
   1011.23   2.531     86
   1008.67   2.524    325
   1002.56   2.509    623
   1000.37   2.504    382
    999.15   2.501    458
    996.58   2.494    841
    992.07   2.483    913
    988.77   2.475    100
    986.08   2.468     52
    985.11   2.465     58
    899.54   2.251     68
    898.32   2.248     74
    896.24   2.243    140
    895.63   2.242    140
    894.90   2.240    152
    893.55   2.236    172
    892.46   2.234    210
    890.75   2.229    176
    889.04   2.225    180
    888.06   2.223    162
    885.86   2.217    153
    884.77   2.214    150
    882.81   2.209    244
    880.62   2.204    207
    879.64   2.202    279
    877.32   2.196    268
    874.02   2.187    179
    872.19   2.183     62
    870.97   2.180     60
    796.02   1.992    110
    788.94   1.975    100
    788.21   1.973    114
    787.48   1.971    101
    784.06   1.962    187
    782.59   1.959    171
    777.95   1.947    182
    777.10   1.945    189
    776.12   1.942    201
    775.39   1.941    154
    773.93   1.937    114
    771.97   1.932    148
    770.39   1.928    170
    765.63   1.916    160
    764.65   1.914    166
    759.64   1.901     62
    758.91   1.899     65
    757.93   1.897     70
    752.44   1.883     67

in CDCl3

KBr disc

nujol mull

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