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4-Methylphenyl isothiocyanate

Product Name 4-Methylphenyl isothiocyanate

CAS622-59-3

MFC8H7NS

MW149.21

¹³CNMR

Mass

MS-NW-9689          
p-tolyl isothiocyanate
C8H7NS              (Mass of molecular ion:    149)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      38.0       1.0
      39.0       6.3
      41.0       1.2
      45.0       2.1
      50.0       2.4
      51.0       3.6
      52.0       1.2
      61.0       1.1
      61.5       1.3
      62.0       1.9
      63.0       5.8
      64.0       2.1
      65.0      10.6
      74.0       1.0
      74.5       4.3
      75.0       1.4
      76.0       1.0
      77.0       2.8
      78.0       1.3
      89.0       7.6
      90.0       4.7
      91.0      46.4
      92.0       3.6
     104.0       3.6
     116.0       3.7
     117.0       5.7
     121.0       5.0
     122.0       1.4
     133.0       1.0
     148.0      34.1
     149.0     100.0
     150.0      11.3
     151.0       5.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ N S	0.037 g : 0.5 ml CDCl₃
p-tolyl isothiocyanate

    Assign.     Shift(ppm)

      A             7.130
      B             7.105
      C             2.337

     Hz     ppm     Int.

   2856.20   7.147     93
   2855.59   7.146    108
   2853.76   7.141     49
   2853.15   7.140     42
   2849.85   7.131     72
   2849.37   7.130     81
   2847.05   7.124    394
   2842.65   7.113    150
   2841.19   7.110    542
   2838.75   7.104    110
   2834.84   7.094     65
   2832.52   7.088    142
    934.20   2.338   1000

in CDCl3

liquid film

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