4,4'-BIPHENYLDICARBONITRILE(1591-30-6) IR2
Product Name4,4'-BIPHENYLDICARBONITRILE
CAS1591-30-6
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
-
MassMS-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
KBr disc
nujol mull
