4'-Butyl-4-biphenylcarbonitrile(52709-83-8) 13C NMR
Product Name4'-Butyl-4-biphenylcarbonitrile
CAS52709-83-8
Molecular FormulaC17H17N
Molecular Weight235.32
InChIInChI=1S/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3
InChIKey PJPLBHHDTUICNN-UHFFFAOYSA-N
SmilesC1(C2=CC=C(CCCC)C=C2)=CC=C(C#N)C=C1
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MassMS-NW-4517 4'-butyl-4-biphenylcarbonitrile C17H17N (Mass of molecular ion: 235)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 1.9 39.0 1.8 41.0 1.3 51.0 1.0 63.0 1.3 77.0 1.1 140.0 1.7 151.0 1.2 152.0 1.6 153.0 1.2 164.0 1.8 165.0 5.5 166.0 1.8 177.0 4.1 178.0 1.7 179.0 2.3 190.0 9.8 191.0 4.1 192.0 100.0 193.0 21.2 194.0 2.1 205.0 1.1 206.0 1.4 235.0 33.0 236.0 6.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C17 H17 N 0.044 g : 0.5 ml CDCl3 4'-butyl-4-biphenylcarbonitrile 
Assign. Shift(ppm)
A 7.66 B 7.48 C 7.28 D 2.65 E 1.61 F 1.38 G 0.95
Hz ppm Int.686.00 7.660 1000 675.81 7.546 73 673.75 7.523 31 669.44 7.475 38 667.38 7.452 176 665.63 7.433 39 655.13 7.315 137 652.94 7.291 38 647.88 7.235 55 646.63 7.221 64 245.56 2.742 30 238.56 2.664 58 230.88 2.578 51 144.19 1.610 40 139.56 1.559 39 133.38 1.490 41 127.56 1.425 30 119.13 1.331 30 90.69 1.013 77 84.38 0.943 159 76.88 0.859 32
in CDCl3
KBr disc
