4'-Heptyl-4-biphenylcarbonitrile(41122-71-8) 13C NMR
Product Name4'-Heptyl-4-biphenylcarbonitrile
CAS41122-71-8
Molecular FormulaC20H23N
Molecular Weight277.4
InChIInChI=1S/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3
InChIKey ZGOWXOZNUNZPAV-UHFFFAOYSA-N
SmilesC1(C2=CC=C(CCCCCCC)C=C2)=CC=C(C#N)C=C1
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MassMS-NW-4516 4'-heptyl-4-biphenylcarbonitrile C20H23N (Mass of molecular ion: 277)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.6 27.0 2.2 29.0 3.1 39.0 1.9 41.0 3.8 43.0 5.9 55.0 1.0 140.0 1.3 152.0 1.3 164.0 1.3 165.0 4.6 166.0 1.7 177.0 3.3 178.0 1.5 179.0 3.0 190.0 8.1 191.0 3.5 192.0 100.0 193.0 27.5 194.0 3.5 204.0 1.0 205.0 2.8 206.0 1.9 277.0 42.9 278.0 9.9 279.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C20 H23 N 0.04 ml : 0.5 ml CDCl3 4'-heptyl-4-biphenylcarbonitrile 
Assign. Shift(ppm)
A 7.65 B 7.477 C 7.275 D 2.64 E 1.62 F 1.45 to 1.14 G 0.88
Hz ppm Int.685.31 7.652 1000 675.38 7.542 70 669.06 7.471 36 666.94 7.447 166 665.25 7.428 38 654.63 7.310 133 652.38 7.285 38 647.19 7.227 49 646.13 7.215 60 237.81 2.656 54 237.63 2.654 54 229.81 2.566 47 145.50 1.625 38 125.75 1.405 33 117.38 1.311 180 115.00 1.285 162 84.31 0.942 39 82.25 0.919 35 81.94 0.915 35 78.94 0.882 132
in CDCl3
liquid film
