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ISOBUTYL ISOTHIOCYANATE

Product Name ISOBUTYL ISOTHIOCYANATE

CAS591-82-2

MFC5H9NS

MW115.2

¹³CNMR

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

    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

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