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Hexyl isocyanate

CAS2525-62-4

MFC7H13NO

MW127.18

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  • Mass

    MS-IW-9000          
    hexyl isocyanate
    C7H13NO             (Mass of molecular ion:    127)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       3.3
          26.0       2.3
          27.0      28.9
          28.0      17.8
          29.0      34.5
          30.0       7.1
          38.0       1.3
          39.0      20.2
          40.0       5.0
          41.0      72.0
          42.0      29.6
          43.0      81.4
          44.0       4.4
          51.0       1.3
          53.0       3.7
          54.0       3.7
          55.0      48.8
          56.0      80.7
          57.0       7.4
          58.0      10.0
          59.0       2.6
          67.0       4.2
          68.0       1.5
          69.0      13.5
          70.0       9.1
          71.0       3.9
          82.0       7.5
          83.0       2.2
          84.0      25.4
          85.0      33.7
          86.0       2.2
          98.0      32.5
          99.0     100.0
         100.0       5.8
         112.0      21.4
         113.0       1.6
         126.0       2.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H13 N O 0.05 ml : 0.5 ml CDCl3
    hexyl isocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.285 B 1.607 C 1.38 D 1.32 E 0.901

         Hz     ppm     Int.
    

       1319.82   3.303    534
       1313.11   3.286    971
       1306.40   3.269    559
        657.23   1.645     72
        650.39   1.628    215
        643.68   1.611    270
        635.50   1.591    248
        628.91   1.574    118
        566.65   1.418     69
        564.33   1.413     30
        559.81   1.401    143
        558.11   1.397    140
        552.98   1.384    178
        551.88   1.381    181
        550.54   1.378    161
        548.22   1.372    124
        547.12   1.369    129
        544.68   1.363    176
        543.70   1.361    182
        540.65   1.353    132
        537.96   1.347    159
        536.99   1.344    154
        534.67   1.338    190
        533.08   1.334    163
        528.32   1.322    327
        527.34   1.320    317
        525.63   1.316    516
        522.83   1.309    353
        522.09   1.307    385
        521.00   1.304    339
        518.55   1.298    283
        515.26   1.290    217
        511.60   1.281    123
        509.52   1.275     79
        507.93   1.271     68
        506.35   1.267     53
        505.74   1.266     56
        504.27   1.262     38
        503.42   1.260     42
        367.31   0.920    393
        360.47   0.902   1000
        353.52   0.885    463
    

in CDCl3



liquid film