4-Cyano-4'-pentylbiphenyl(40817-08-1) Raman
Product Name4-Cyano-4'-pentylbiphenyl
CAS40817-08-1
Molecular FormulaC18H19N
Molecular Weight249.35
InChIInChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3
InChIKey HHPCNRKYVYWYAU-UHFFFAOYSA-N
SmilesC1(C2=CC=C(CCCCC)C=C2)=CC=C(C#N)C=C1
-
MassMS-NW-4519 4'-pentyl-4-biphenylcarbonitrile C18H19N (Mass of molecular ion: 249)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.7 27.0 2.0 29.0 3.1 39.0 2.2 41.0 3.0 63.0 1.1 77.0 1.1 140.0 1.6 151.0 1.0 152.0 1.5 153.0 1.1 164.0 1.5 165.0 5.6 166.0 1.9 177.0 3.7 178.0 1.7 179.0 2.5 190.0 9.2 191.0 3.8 192.0 100.0 193.0 23.6 194.0 2.5 205.0 1.4 206.0 1.7 249.0 36.8 250.0 7.5
90 MHz in CDCl3
-
1H NMR 89.56 MHz C18 H19 N 0.04 ml : 0.5 ml CDCl3 4'-pentyl-4-biphenylcarbonitrile 
Assign. Shift(ppm)
A 7.65 B 7.48 C 7.27 D 2.63 E 1.65 F 1.37 G 1.28 J 0.90
Hz ppm Int.684.75 7.646 1000 675.13 7.539 74 673.06 7.516 32 668.81 7.468 39 666.69 7.445 180 665.06 7.426 42 654.44 7.308 142 652.38 7.285 41 646.69 7.221 56 646.00 7.214 64 244.38 2.729 31 237.38 2.651 63 229.56 2.564 55 147.50 1.647 39 125.25 1.399 78 122.31 1.366 64 120.13 1.342 58 120.00 1.340 58 118.13 1.320 75 114.94 1.284 44 114.63 1.280 43 111.25 1.243 35 86.13 0.962 46 80.56 0.900 142 74.63 0.834 35
in CDCl3
liquid film
