67951-45-5

p-(2-Methylbutoxy)benzoic acid p-cyanophenyl ester(67951-45-5) MS

Product Namep-(2-Methylbutoxy)benzoic acid p-cyanophenyl ester

CAS 67951-45-5

Molecular FormulaC19H19NO3

Molecular Weight309.36

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¹HNMR

¹³CNMR

IR1

p-(2-Methylbutoxy)benzoic acid p-cyanophenyl ester(67951-45-5) MS
Mass

MS-NW-4494          
p-cyanophenyl p-(2-methylbutoxy)benzoate
C19H19NO3           (Mass of molecular ion:    309)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       3.1
      27.0       2.3
      29.0       4.4
      39.0       3.6
      41.0       4.7
      43.0       8.6
      50.0       1.4
      55.0       2.2
      63.0       2.4
      64.0       3.3
      65.0       6.3
      71.0       1.7
      76.0       3.1
      92.0       3.9
      93.0       8.6
      94.0       1.0
     104.0       2.9
     119.0       1.0
     120.0       4.5
     121.0      92.8
     122.0       7.5
     191.0     100.0
     192.0      13.2
     193.0       1.2

400 MHz in CDCl3

p-(2-Methylbutoxy)benzoic acid p-cyanophenyl ester(67951-45-5) MS

¹H NMR	399.65 MHz
C₁₉ H₁₉ N O₃	0.04 ml : 0.5 ml CDCl₃
p-cyanophenyl p-(2-methylbutoxy)benzoate

    Assign.     Shift(ppm)

      A             8.121
      B             7.721
      C             7.352
      D             6.987
      E     *1      3.910
      F     *1      3.833
      G             1.908
      J     *2      1.590
      K     *2      1.300
      L             1.044
      M             0.970
     
     J(E,F)=9.1HZ. J(G,E)=6.0HZ. J(G,F)=6.6HZ.
     J(J,G)=5.2HZ. J(K,G)=7.6HZ.

     Hz     ppm     Int.

   3253.17   8.141     63
   3250.37   8.134    518
   3248.29   8.128    154
   3245.85   8.122     31
   3243.41   8.116    156
   3241.33   8.111    548
   3238.53   8.104     70
   3092.90   7.740     72
   3090.45   7.733    515
   3088.38   7.728    173
   3086.67   7.724     31
   3083.74   7.717    181
   3081.67   7.711    594
   3079.22   7.705     89
   2945.07   7.370     82
   2942.63   7.364    583
   2940.55   7.358    183
   2938.23   7.353     31
   2935.79   7.346    166
   2933.72   7.341    522
   2931.40   7.335     75
   2799.68   7.006     63
   2796.88   6.999    487
   2794.80   6.994    148
   2789.92   6.981    137
   2787.84   6.976    473
   2785.03   6.969     64
   1571.29   3.932    103
   1565.19   3.917    112
   1562.13   3.909    178
   1556.15   3.894    175
   1538.70   3.851    173
   1532.10   3.834    182
   1529.66   3.828    114
   1523.07   3.812    108
    772.58   1.934     39
    765.87   1.917     58
    759.77   1.902     59
    759.28   1.900     60
    753.05   1.885     42
    648.56   1.623     50
    643.07   1.610     56
    641.11   1.605     56
    635.25   1.590     81
    633.67   1.586     30
    629.52   1.576     59
    627.56   1.571     68
    622.07   1.557     56
    533.69   1.336     66
    526.12   1.317     94
    520.14   1.302     64
    518.55   1.298     71
    512.57   1.283     77
    511.35   1.280     36
    504.88   1.264     55
    420.90   1.054   1000
    414.06   1.037    977
    409.79   1.026     30
    408.69   1.023     30
    394.65   0.988    445
    387.21   0.969    944
    383.54   0.960     35
    383.30   0.960     35
    382.57   0.958     37
    379.76   0.951    361

in CDCl3

KBr disc

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