4,4'-BIPHENYLDICARBONITRILE(1591-30-6) ¹H NMR

Product Name4,4'-BIPHENYLDICARBONITRILE

CAS 1591-30-6

Molecular FormulaC14H8N2

Molecular Weight204.23

InChIInChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H

InChIKey KAXYYLCSSXFXKR-UHFFFAOYSA-N

SmilesC1(C2=CC=C(C#N)C=C2)=CC=C(C#N)C=C1

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Mass

MS-NW-6319          
4,4'-biphenyldicarbonitrile
C14H8N2             (Mass of molecular ion:    204)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.2
      39.0       1.2
      50.0       2.3
      51.0       1.9
      62.0       1.5
      63.0       2.2
      74.0       2.0
      75.0       5.3
      76.0       2.4
      88.0       2.0
      88.5       4.3
      89.0       1.3
      99.0       1.3
     100.0       1.3
     101.0       1.0
     102.0       4.4
     126.0       1.0
     127.0       1.6
     140.0       1.4
     149.0       1.1
     150.0       2.2
     151.0       2.6
     152.0       1.2
     153.0       1.6
     175.0       2.4
     176.0       7.6
     177.0       8.2
     178.0       3.0
     202.0       3.4
     203.0      10.2
     204.0     100.0
     205.0      16.4
     206.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₈ N₂	0.045 g : 0.5 ml CDCl₃
4,4'-biphenyldicarbonitrile

    Assign.     Shift(ppm)

      A             7.78
      B             7.70

     Hz     ppm     Int.

    703.63   7.857    130
    702.56   7.845     80
    701.00   7.828     59
    697.63   7.790     69
    694.94   7.760   1000
    692.63   7.734    960
    689.94   7.704     89
    686.56   7.666     56
    684.94   7.648     84
    683.94   7.637    127

in CDCl3