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591-82-2

ISOBUTYL ISOTHIOCYANATE

Product Name ISOBUTYL ISOTHIOCYANATE

CAS591-82-2

MFC5H9NS

MW115.2

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  • 591-82-2_ms
    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

  • 591-82-2_1hnmr

    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

  • 591-82-2_13cnmr

CCl4 solution

  • 591-82-2_ir1_2

liquid film

  • 591-82-2_ir2