4-Biphenylacetonitrile(31603-77-7) IR2
Product Name4-Biphenylacetonitrile
CAS31603-77-7
Molecular FormulaC14H11N
Molecular Weight193.24
InChIInChI=1S/C14H11N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10H2
InChIKey HSZCNGTZJWZAMF-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(CC#N)C=C1
-
MassMS-IW-4868 (4-biphenylyl)acetonitrile C14H11N (Mass of molecular ion: 193)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
39.0 1.2 51.0 1.9 63.0 2.2 69.5 1.8 75.0 1.2 76.0 2.0 77.0 2.0 81.5 1.6 82.0 4.7 82.5 5.8 83.0 2.4 83.5 1.7 89.0 1.6 95.5 1.9 96.5 4.4 115.0 2.2 116.0 1.9 126.0 1.2 127.0 1.0 139.0 1.7 140.0 1.1 151.0 2.4 152.0 7.6 153.0 2.6 163.0 1.8 164.0 2.7 165.0 27.9 166.0 9.4 167.0 2.8 177.0 1.5 178.0 2.3 190.0 5.1 191.0 3.0 192.0 18.2 193.0 100.0 194.0 15.5 195.0 1.1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C14 H11 N 0.041 g : 0.5 ml CDCl3 (4-biphenylyl)acetonitrile 
Assign. Shift(ppm)
A 7.58 B 7.55 C 7.434 D 7.37 E 7.36 F 3.749
Hz ppm Int.3036.25 7.598 90 3034.18 7.593 528 3032.10 7.587 206 3027.59 7.576 566 3026.12 7.572 893 3025.63 7.571 871 3024.17 7.568 211 3020.14 7.557 242 3019.17 7.555 522 3018.55 7.553 398 3017.94 7.552 471 3015.87 7.547 87 2981.08 7.460 87 2980.22 7.458 196 2979.25 7.455 291 2977.42 7.451 120 2974.12 7.442 123 2973.51 7.441 151 2972.66 7.439 352 2972.05 7.437 602 2970.58 7.433 272 2968.51 7.428 44 2965.82 7.422 182 2964.36 7.418 312 2963.75 7.416 259 2962.16 7.412 65 2955.20 7.395 32 2952.88 7.389 111 2951.54 7.386 295 2950.93 7.384 534 2950.32 7.383 439 2948.73 7.379 204 2947.75 7.376 211 2946.41 7.373 308 2945.07 7.370 249 2944.34 7.368 203 2943.60 7.366 237 2942.99 7.364 379 2942.26 7.363 462 2941.65 7.361 262 2940.19 7.357 124 2939.45 7.356 252 2938.96 7.354 274 2936.77 7.349 91 2932.98 7.339 74 2931.76 7.336 119 2930.42 7.333 67 1498.41 3.750 1000
in CDCl3
KBr disc
nujol mull
