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六亚甲基二异氰酸酯

产品名称 六亚甲基二异氰酸酯

CAS号822-06-0

分子式C8H12N2O2

分子量168.19

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  • Mass

    MS-NW-0590          
    hexamethylene diisocyanate
    C8H12N2O2           (Mass of molecular ion:    168)
    

       Source Temperature: 290 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       5.6
          18.0       2.6
          26.0       2.2
          27.0      15.4
          28.0      19.5
          29.0      12.5
          30.0       6.3
          39.0      12.7
          40.0       3.7
          41.0     100.0
          42.0      16.2
          43.0      70.9
          44.0       4.5
          53.0       4.9
          54.0      16.8
          55.0      20.9
          56.0      90.3
          57.0       3.1
          58.0       8.6
          67.0      19.2
          68.0       6.4
          69.0      33.8
          70.0      10.3
          71.0       1.4
          80.0       2.7
          81.0       3.6
          82.0      10.1
          83.0       3.7
          84.0      11.3
          85.0      52.2
          86.0       2.8
          96.0       3.5
          97.0      13.2
          98.0      25.4
          99.0      45.9
         100.0       2.8
         110.0       1.2
         111.0       1.2
         112.0       3.0
         113.0       4.1
         123.0       1.1
         124.0       5.8
         125.0       3.7
         126.0       8.5
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H12 N2 O2 0.04 ml : 0.5 ml CDCl3
    hexamethylene diisocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.304 B 1.60 C 1.44

         Hz     ppm     Int.
    

        303.06   3.384    292
        296.63   3.313   1000
        293.25   3.275     72
        290.31   3.242    488
        158.06   1.765     41
        154.56   1.726     73
        152.44   1.703    124
        151.31   1.690    107
        149.69   1.672     94
        146.81   1.640    206
        145.81   1.629    188
        144.50   1.614    181
        142.00   1.586    170
        140.88   1.574    206
        139.06   1.553    224
        133.69   1.493    281
        131.63   1.470    376
        129.88   1.451    314
        128.13   1.431    249
        127.06   1.419    247
        124.13   1.386    159
        121.81   1.361    127
        121.13   1.353    123
        119.63   1.336     91
        117.69   1.315     64
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid