(4-cyanophenyl) 4-butylcyclohexane-1-carboxylate(62439-34-3) MS

Product Name(4-cyanophenyl) 4-butylcyclohexane-1-carboxylate

CAS 62439-34-3

Molecular FormulaC18H23NO2

Molecular Weight285.38

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¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4498          
p-cyanophenyl trans-4-butylcyclohexanecarboxylate
C18H23NO2           (Mass of molecular ion:    285)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.5
      27.0       4.7
      28.0       1.0
      29.0       7.5
      39.0       5.4
      41.0      20.6
      42.0       1.5
      43.0       8.7
      53.0       3.4
      54.0       6.0
      55.0      33.3
      56.0       2.2
      57.0      21.6
      58.0       1.0
      63.0       1.2
      64.0       1.5
      67.0      11.9
      68.0       2.6
      69.0      33.5
      70.0       2.0
      71.0       5.9
      77.0       1.0
      79.0       2.3
      81.0      13.7
      82.0       3.2
      83.0     100.0
      84.0       6.7
      90.0       2.4
      91.0       1.0
      95.0       3.9
      96.0       2.3
      97.0      35.2
      98.0       2.7
     102.0       1.6
     109.0       1.2
     119.0       2.7
     120.0       1.6
     139.0      54.2
     140.0       6.2
     167.0      53.7
     168.0       6.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₂₃ N O₂	0.041 g : 0.5 ml CDCl₃
p-cyanophenyl trans-4-butylcyclohexanecarboxylate

    Assign.     Shift(ppm)

      A             7.677
      B             7.209
      C             2.491
      D             2.126
      E             1.884
      F             1.541
      G          1.36 to 1.21
      J             1.21
      K             0.983
      L             0.90

     Hz     ppm     Int.

   3074.95   7.695    122
   3072.63   7.689    915
   3070.56   7.684    293
   3067.63   7.676     48
   3065.80   7.672    299
   3063.72   7.667    942
   3061.28   7.660    142
   2887.57   7.226    138
   2885.13   7.220   1000
   2883.06   7.214    307
   2880.74   7.209     52
   2878.42   7.203    284
   2876.22   7.197    874
   2873.90   7.192    128
   1011.96   2.533     45
   1008.42   2.524     97
   1004.76   2.515     58
    999.63   2.502    102
    996.09   2.493    206
    992.55   2.484    112
    987.43   2.471     62
    983.89   2.462    112
    980.35   2.454     56
    858.28   2.148    154
    856.93   2.145    153
    854.86   2.140    163
    849.73   2.127     90
    844.73   2.114    177
    844.12   2.113    176
    842.65   2.109    167
    841.31   2.106    173
    759.64   1.901    163
    758.42   1.898    172
    747.44   1.871    174
    744.63   1.864    171
    636.72   1.594     77
    633.30   1.585     72
    623.66   1.561    205
    620.00   1.552    188
    611.21   1.530    190
    607.67   1.521    186
    597.90   1.497     73
    594.48   1.488     66
    534.18   1.337     34
    533.94   1.337     34
    526.00   1.317    126
    522.46   1.308    300
    521.12   1.304    278
    518.68   1.298    420
    514.40   1.288    498
    511.96   1.282    399
    508.06   1.272    270
    502.81   1.259    162
    502.32   1.257    161
    500.85   1.254    175
    499.88   1.251    164
    499.51   1.250    164
    496.09   1.242    177
    494.51   1.238    207
    493.77   1.236    224
    492.07   1.232    231
    489.14   1.224    266
    483.28   1.210    136
    476.93   1.194     50
    476.32   1.192     52
    472.53   1.183     30
    412.96   1.034     76
    409.67   1.026     81
    406.49   1.018     36
    399.78   1.001    176
    396.48   0.993    156
    392.82   0.983     47
    388.43   0.972    136
    385.62   0.965    151
    378.91   0.949     39
    375.12   0.939     77
    371.70   0.931     82
    365.60   0.915    334
    363.77   0.911    209
    358.76   0.898    975
    356.20   0.892    224
    353.76   0.886    176
    351.68   0.880    266

in CDCl3

KBr disc

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