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104949-82-8

4-N-HEXYLOXYPHTHALONITRILE

Product Name 4-N-HEXYLOXYPHTHALONITRILE

CAS104949-82-8

MFC14H16N2O

MW228.29

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  • 104949-82-8_ms_1
    Mass

    MS-IW-0222          
    4-(hexyloxy)phthalonitrile
    C14H16N2O           (Mass of molecular ion:    228)
    

       Source Temperature: 260 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          18.0       3.9
          27.0       6.1
          28.0       1.6
          29.0       9.5
          39.0       3.7
          41.0      19.4
          42.0       5.3
          43.0     100.0
          44.0       3.8
          55.0       8.8
          56.0      11.8
          57.0      20.2
          64.0       1.2
          69.0       6.9
          76.0       1.1
          84.0      16.7
          85.0      22.2
          86.0       1.5
         100.0       2.7
         115.0       1.3
         116.0       1.7
         127.0       4.5
         128.0       2.1
         129.0       1.3
         144.0       5.7
         145.0       7.8
         157.0       1.6
         158.0       2.3
         228.0      10.3
         229.0       3.9
    

400 MHz in CDCl3

  • 104949-82-8_1hnmr_0

    1H NMR 399.65 MHz
    C14 H16 N2 O 0.05 ml : 0.5 ml CDCl3
    4-(hexyloxy)phthalonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.735 B 7.285 C 7.231 D 4.081 E 1.834 F 1.473 G 1.36 J 1.34 K 0.908

         Hz     ppm     Int.
    

       3095.95   7.747    528
       3087.16   7.725    566
       2912.96   7.289    452
       2910.40   7.283    565
       2895.26   7.245    372
       2892.70   7.239    297
       2886.47   7.223    328
       2883.91   7.217    284
       1637.70   4.098    389
       1631.10   4.082    818
       1624.63   4.066    419
        747.44   1.871     85
        740.84   1.854    227
        737.67   1.846     70
        733.64   1.836    253
        732.06   1.832    200
        725.71   1.816    258
        719.24   1.800    108
        604.00   1.512     41
        602.78   1.509     36
        596.92   1.494    140
        594.12   1.487    109
        592.04   1.482    122
        589.72   1.476    171
        584.84   1.464    112
        583.98   1.462    114
        581.79   1.456    142
        574.58   1.438     65
        553.34   1.385     42
        547.61   1.371    163
        543.82   1.361    332
        540.28   1.352    504
        536.50   1.343    545
        532.96   1.334    351
        529.54   1.326    147
        524.78   1.314     38
        370.24   0.927    334
        366.58   0.918    204
        363.28   0.909   1000
        360.96   0.904    217
        360.35   0.902    221
        357.79   0.896    185
        356.08   0.891    293
    

in CDCl3

  • 104949-82-8_13cnmr_0

liquid film

  • 104949-82-8_ir1_0