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4-CYANOPHENYL ISOTHIOCYANATE

Product Name 4-CYANOPHENYL ISOTHIOCYANATE

CAS2719-32-6

MFC8H4N2S

MW160.2

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  • Mass 

    MS-IW-3915          
p-cyanophenyl isothiocyanate
C8H4N2S             (Mass of molecular ion:    160)


       Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV


          18.0       1.0
      37.0       1.5
      38.0       1.3
      45.0       1.0
      50.0       4.5
      51.0       5.8
      52.0       1.6
      62.0       1.6
      63.0       1.8
      64.0       2.0
      66.5       1.7
      70.0       1.7
      74.0       2.2
      75.0      10.9
      76.0       6.6
      80.0       4.1
      88.0       1.2
      89.0       1.2
     101.0       1.3
     102.0      38.0
     103.0       3.1
     116.0       4.6
     128.0       1.0
     133.0       3.9
     160.0     100.0
     161.0      10.4
     162.0       5.1

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H4 N2 S 0.031 g : 0.5 ml CDCl3
    p-cyanophenyl isothiocyanate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.666
      B             7.312
  

         Hz     ppm     Int.


       3070.31   7.683    134
   3068.24   7.678    843
   3067.75   7.677    612
   3066.16   7.673    310
   3063.84   7.667     45
   3061.52   7.661    322
   3059.45   7.656   1000
   3057.37   7.651    167
   3055.05   7.645     31
   2928.83   7.329    139
   2928.22   7.327     99
   2926.76   7.324    919
   2926.27   7.323    675
   2924.68   7.319    315
   2922.36   7.313     47
   2919.92   7.307    285
   2917.85   7.302    833
   2915.77   7.296    131
   2913.45   7.291     24

in CDCl3



KBr disc



nujol mull



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