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4-(4-Butylcyclohexyl)benzonitrile

Product Name 4-(4-Butylcyclohexyl)benzonitrile

CAS62788-04-9

MFC17H23N

MW241.37


  • Mass

    MS-NW-4505          
    p-(4-butylcyclohexyl)benzonitrile
    C17H23N             (Mass of molecular ion:    241)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       2.1
          27.0      15.4
          28.0       1.1
          29.0      23.8
          39.0      16.3
          40.0       2.4
          41.0      45.7
          42.0       6.1
          43.0      18.6
          50.0       1.6
          51.0       3.9
          52.0       1.9
          53.0       6.8
          54.0       9.1
          55.0      65.5
          56.0      15.6
          57.0      36.7
          58.0       1.6
          63.0       3.0
          64.0       1.2
          65.0       2.7
          66.0       2.0
          67.0      22.2
          68.0       7.6
          69.0      22.5
          70.0      39.8
          71.0       4.6
          75.0       1.9
          76.0       2.5
          77.0       6.1
          78.0       2.9
          79.0       4.0
          80.0       3.6
          81.0      37.8
          82.0      25.5
          83.0      16.0
          84.0       5.8
          89.0       8.0
          90.0       2.5
          91.0       2.1
          94.0       2.2
          95.0       8.1
          96.0      54.3
          97.0      10.1
          98.0       3.1
         101.0       2.6
         102.0       6.2
         103.0       8.2
         104.0      10.4
         105.0       1.2
         107.0       2.2
         109.0       4.8
         110.0       3.6
         111.0       1.5
         112.0      17.4
         113.0       1.6
         114.0       1.4
         115.0      12.3
         116.0      88.4
         117.0      22.6
         118.0       2.8
         123.0       6.5
         124.0       1.7
         125.0       1.6
         127.0       3.4
         128.0       8.8
         129.0     100.0
         130.0      64.2
         131.0      12.0
         132.0       1.2
         135.0       2.9
         136.0      43.3
         137.0       7.7
         138.0       8.3
         139.0       1.1
         140.0       7.3
         141.0       3.6
         142.0      49.1
         143.0      44.6
         144.0      13.8
         145.0      10.8
         146.0       1.3
         153.0       1.9
         154.0       3.9
         155.0       3.4
         156.0       8.0
         157.0       6.2
         158.0       3.0
         166.0       1.0
         167.0       5.1
         168.0       3.8
         169.0       1.0
         170.0       4.1
         171.0       1.5
         172.0       1.1
         182.0       1.9
         183.0       3.9
         184.0      26.2
         185.0       8.2
         186.0       1.9
         198.0       4.5
         199.0       3.7
         200.0       1.1
         212.0       4.2
         213.0       2.4
         240.0       2.7
         241.0      90.2
         242.0      17.2
         243.0       1.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C17 H23 N 0.040 g : 0.5 ml CDCl3
    p-(4-butylcyclohexyl)benzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.564 B 7.299 C 2.519 D 1.88 E 1.430 F 1.33 to 1.24 G 1.23 J 1.056 K 0.903

         Hz     ppm     Int.
    

       3029.17   7.580    122
       3027.47   7.576    681
       3025.63   7.571    255
       3020.87   7.559    264
       3019.04   7.555    801
       3017.33   7.550    150
       2922.49   7.313    136
       2920.78   7.309    731
       2919.31   7.305    243
       2916.63   7.298     57
       2914.18   7.292    210
       2912.72   7.289    630
       1022.22   2.558     37
       1021.85   2.557     37
       1019.17   2.551     69
       1015.87   2.542     47
       1010.01   2.528     78
       1006.84   2.520    142
       1003.78   2.512     83
        997.68   2.497     47
        994.63   2.489     74
        991.58   2.482     40
        756.96   1.895    353
        746.58   1.869    366
        745.61   1.866    365
        741.09   1.855    197
        593.38   1.485     51
        591.80   1.481     45
        589.11   1.475     81
        579.47   1.450    170
        576.42   1.443    175
        572.27   1.432     41
        571.78   1.431     40
        571.41   1.430     40
        567.14   1.420    203
        563.96   1.412    175
        554.20   1.387     82
        551.39   1.380     77
        537.60   1.346     39
        529.91   1.326    146
        526.49   1.318    313
        522.46   1.308    466
        520.51   1.303    383
        518.19   1.297    499
        515.50   1.290    462
        511.84   1.281    286
        506.23   1.267    177
        500.49   1.253    230
        498.17   1.247    226
        495.24   1.240    271
        492.43   1.233    161
        490.23   1.227    126
        489.38   1.225    129
        488.77   1.223    128
        482.30   1.207     49
        439.82   1.101     81
        437.01   1.094     89
        433.84   1.086     40
        433.47   1.085     40
        432.74   1.083     41
        427.37   1.070    171
        424.32   1.062    162
        414.18   1.037    147
        403.32   1.010     55
        403.08   1.009     55
        400.39   1.002     34
        399.54   1.000     35
        399.17   0.999     34
        375.24   0.939     32
        367.43   0.920    339
        365.97   0.916    209
        360.60   0.903   1000
        358.15   0.897    222
        356.57   0.893    180
        354.98   0.889    175
        353.39   0.885    264
    

in CDCl3



KBr disc



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