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81560-32-9

4-N-BUTOXYPHTHALONITRILE

Product Name 4-N-BUTOXYPHTHALONITRILE

CAS81560-32-9

MFC12H12N2O

MW200.24

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  • 81560-32-9_ms_1
    Mass

    MS-NW-9735          
    4-butoxyphthalonitrile
    C12H12N2O           (Mass of molecular ion:    200)
    

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

          26.0       1.0
          27.0      12.1
          28.0       5.0
          29.0      51.8
          30.0       1.3
          37.0       1.7
          38.0       1.8
          39.0      11.8
          40.0       1.6
          41.0      70.0
          42.0       3.0
          50.0       1.9
          51.0       1.7
          52.0       1.6
          53.0       1.7
          55.0       6.6
          56.0      68.8
          57.0     100.0
          58.0       4.9
          62.0       2.2
          63.0       2.5
          64.0       4.2
          75.0       1.9
          76.0       2.5
          88.0       2.3
          89.0       2.7
         100.0       5.6
         101.0       1.5
         102.0       1.1
         115.0       3.7
         116.0       6.2
         117.0       1.0
         127.0       9.5
         128.0       1.5
         129.0       2.0
         143.0       1.4
         144.0      60.8
         145.0      78.6
         146.0       7.5
         157.0       7.4
         158.0       1.2
         200.0      87.4
         201.0      25.1
         202.0       2.8
    

400 MHz in CDCl3

  • 81560-32-9_1hnmr_0

    1H NMR 399.65 MHz
    C12 H12 N2 O 0.030 g : 0.5 ml CDCl3
    4-butoxyphthalonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.716 B 7.268 C 7.199 D 4.067 E 1.817 F 1.507 G 0.994

         Hz     ppm     Int.
    

       3088.26   7.728    330
       3079.47   7.706    361
       2906.13   7.272    301
       2903.56   7.266    356
       2882.45   7.213    233
       2879.88   7.207    192
       2873.78   7.191    208
       2871.09   7.185    180
       1632.08   4.084    288
       1625.61   4.068    570
       1619.14   4.052    285
        741.21   1.855     65
        734.74   1.839    168
        731.45   1.831     64
        728.27   1.823    164
        727.42   1.821    181
        725.71   1.816    133
        721.80   1.807     74
        720.70   1.804    101
        719.48   1.801    176
        713.13   1.785     78
        620.61   1.553     42
        613.16   1.535    135
        607.30   1.520     84
        605.59   1.516    200
        599.98   1.502     86
        598.02   1.497    206
        592.65   1.483     42
        590.58   1.478    131
        583.25   1.460     39
        404.30   1.012    504
        396.97   0.994   1000
        389.53   0.975    431
    

in CDCl3

  • 81560-32-9_13cnmr_0

KBr disc

  • 81560-32-9_ir1_2

nujol mull

  • 81560-32-9_ir2_1