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异硫氰酸异丁酯

产品名称 异硫氰酸异丁酯

CAS号591-82-2

分子式C5H9NS

分子量115.2

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  • Mass

    MS-NW-8691          
    isobutyl isothiocyanate
    C5H9NS              (Mass of molecular ion:    115)
    

       Source Temperature: 270 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.5
          26.0       1.4
          27.0      21.3
          28.0       5.8
          29.0      37.5
          30.0       8.1
          31.0       1.5
          32.0       1.0
          37.0       1.0
          38.0       2.3
          39.0      20.6
          40.0       3.6
          41.0      79.7
          42.0       5.3
          43.0      52.8
          44.0       4.0
          45.0      13.8
          46.0       4.8
          51.0       1.0
          53.0       1.7
          55.0       8.1
          56.0      24.0
          57.0      62.7
          58.0       3.9
          59.0       3.2
          60.0       2.3
          70.0       1.9
          71.0       2.3
          72.0      33.9
          73.0      41.3
          74.0       4.0
          75.0       2.0
          86.0       3.4
         100.0       2.4
         102.0       4.7
         115.0     100.0
         116.0       7.4
         117.0       4.7
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C5 H9 N S 0.04 ml : 0.5 ml CDCl3
    isobutyl isothiocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.344 B 2.00 C 1.016

         Hz     ppm     Int.
    

        302.81   3.382    410
        296.63   3.313    464
        186.13   2.079     31
        179.94   2.010     40
        179.63   2.006     37
        173.06   1.933     38
        166.63   1.861     28
         93.75   1.047   1000
         87.25   0.975    756
         84.50   0.944     60
    

in CDCl3



CCl4 solution



liquid film