52364-73-5

对氰基辛氧基联苯(52364-73-5)质谱(MS)

产品名称:对氰基辛氧基联苯

CAS:52364-73-5

分子式:C21H25NO

分子量: 307.43

Mass

MS-NW-4503          
4'-octyloxy-4-biphenylcarbonitrile
C21H25NO            (Mass of molecular ion:    307)

   Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.2
      27.0       2.3
      29.0       5.8
      39.0       1.7
      41.0       9.6
      42.0       1.2
      43.0      11.3
      55.0       4.8
      57.0       7.5
      69.0       2.8
      71.0       4.1
     139.0       1.0
     140.0       2.4
     151.0       1.5
     166.0       3.9
     177.0       1.4
     178.0       1.9
     194.0       1.8
     195.0     100.0
     196.0      14.9
     197.0       1.3
     307.0      22.4
     308.0       5.1

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₁ H₂₅ N O	0.045 g : 0.5 ml CDCl₃
4'-octyloxy-4-biphenylcarbonitrile

    Assign.     Shift(ppm)

      A             7.64
      B             7.504
      C             6.979
      D             3.986
      E             1.80
      F          1.60 to 1.13
      G             0.90

     Hz     ppm     Int.

    683.88   7.637   1000
    680.25   7.596     34
    677.06   7.560    205
    674.81   7.535     72
    670.31   7.485     64
    668.06   7.460    278
    665.25   7.428     32
    628.94   7.023    268
    626.75   6.999     66
    622.19   6.948     53
    620.00   6.923    176
    363.88   4.063     85
    357.56   3.993    213
    351.25   3.922    119
    161.63   1.805     51
    161.31   1.802     51
    158.75   1.773     34
    157.88   1.763     31
    157.31   1.757     33
    155.50   1.737     43
    155.06   1.732     43
    154.50   1.726     39
    154.06   1.721     38
    138.06   1.542     34
    137.63   1.537     36
    137.25   1.533     35
    136.81   1.528     36
    136.19   1.521     36
    135.44   1.513     36
    133.56   1.492     42
    133.06   1.486     43
    132.94   1.485     43
    131.88   1.473     44
    118.44   1.323    314
    116.50   1.301    280
    116.25   1.299    280
     84.94   0.949     70
     84.63   0.945     68
     82.88   0.926     61
     82.50   0.922     60
     79.75   0.891    225
     75.88   0.848     37
     73.69   0.823     47

¹H NMR	399.65 MHz
C₂₁ H₂₅ N O	0.042 g : 0.5 ml CDCl₃
4'-octyloxy-4-biphenylcarbonitrile

    Assign.     Shift(ppm)

      A             7.675
      B             7.632
      C             7.520
      D             6.988
      E             3.998
      F             1.805
      G             1.47
      J          1.36 to 1.28
      K             0.890

     Hz     ppm     Int.

   3077.76   7.702     30
   3077.51   7.701     30
   3076.78   7.699     31
   3074.22   7.693     95
   3072.75   7.689    438
   3072.02   7.687    312
   3070.68   7.684    190
   3066.28   7.673    277
   3064.09   7.667    994
   3062.74   7.664    259
   3056.88   7.649     55
   3054.44   7.643    256
   3053.10   7.640    970
   3050.90   7.634    252
   3046.39   7.623    177
   3045.04   7.620    288
   3044.31   7.618    422
   3042.85   7.614     79
   3014.40   7.543     37
   3012.82   7.539     91
   3009.89   7.532    724
   3007.69   7.526    229
   3005.37   7.521     54
   3003.05   7.515    239
   3000.98   7.510    786
   2997.92   7.502     88
   2800.17   7.007     96
   2797.12   6.999    743
   2795.04   6.994    225
   2790.41   6.983    214
   2788.33   6.977    681
   2785.28   6.970     75
   1604.37   4.015    366
   1597.78   3.998    772
   1594.24   3.990     51
   1591.19   3.982    378
    735.47   1.841     79
    728.76   1.824    210
    726.07   1.817     78
    721.68   1.806    242
    720.46   1.803    189
    713.75   1.786    229
    707.28   1.770     95
    601.68   1.506     44
    601.20   1.505     43
    595.09   1.490    115
    593.26   1.485    106
    587.89   1.472    171
    581.91   1.457    115
    579.83   1.451    141
    579.59   1.451    141
    575.07   1.439     48
    572.63   1.433     74
    558.96   1.399     46
    556.52   1.393     54
    556.03   1.392     56
    550.90   1.379    109
    548.95   1.374    118
    545.04   1.364    156
    539.67   1.351    242
    534.42   1.338    288
    532.23   1.332    308
    530.76   1.329    283
    526.73   1.318    327
    520.75   1.304    365
    517.70   1.296    470
    516.97   1.294    478
    515.63   1.291    456
    511.60   1.281    270
    504.76   1.264     75
    502.32   1.257     48
    501.59   1.256     44
    500.61   1.253     40
    500.24   1.252     40
    499.02   1.249     34
    370.00   0.926     31
    369.38   0.925     32
    369.14   0.924     32
    368.90   0.924     32
    362.92   0.909    294
    360.84   0.903    204
    359.86   0.901    206
    359.50   0.900    206
    356.08   0.891   1000
    349.00   0.874    325

in CDCl3