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1,3-Dicyanobenzene

Product Name 1,3-Dicyanobenzene

CAS626-17-5

MFC8H4N2

MW128.13

¹³CNMR

Mass

MS-NW-1451          
isophthalonitrile
C8H4N2              (Mass of molecular ion:    128)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      26.0       1.9
      37.0       2.9
      38.0       2.2
      39.0       2.4
      49.0       1.7
      50.0      11.2
      51.0       4.3
      52.0       2.2
      61.0       1.1
      62.0       1.3
      63.0       1.7
      64.0       5.7
      74.0       2.8
      75.0       9.5
      76.0       6.5
      77.0       3.3
      88.0       1.9
      99.0       1.7
     100.0       3.2
     101.0      20.4
     102.0       2.9
     128.0     100.0
     129.0       9.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₄ N₂	0.043 g : 0.5 ml CDCl₃
isophthalonitrile

    Assign.     Shift(ppm)

      A             7.99
      B             7.96
      C             7.71

     Hz     ppm     Int.

    719.88   8.038     26
    717.44   8.011    116
    716.13   7.997    540
    715.19   7.986   1000
    713.56   7.968    378
    708.69   7.914    617
    707.88   7.904    638
    706.88   7.893    559
    706.56   7.890    549
    700.94   7.827     40
    695.63   7.768    357
    694.13   7.751    213
    689.31   7.697    223
    688.69   7.690    204
    687.38   7.676    124
    685.25   7.652    126
    680.88   7.603     75
    679.50   7.588     89

in CDCl3

KBr disc

nujol mull

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