4'-Octyl[1,1'-biphenyl]-4-carbonitrile
Product Name 4'-Octyl[1,1'-biphenyl]-4-carbonitrile
CAS52709-84-9
MFC21H25N
MW291.43
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MassMS-NW-4521 4'-octyl-4-biphenylcarbonitrile C21H25N (Mass of molecular ion: 291)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 3.8 27.0 2.4 28.0 1.6 29.0 4.4 39.0 1.9 41.0 5.6 43.0 4.7 55.0 1.4 57.0 4.2 140.0 1.1 152.0 1.2 164.0 1.1 165.0 4.4 166.0 1.6 177.0 2.7 178.0 1.5 179.0 3.1 190.0 7.1 191.0 3.1 192.0 100.0 193.0 29.7 194.0 3.7 205.0 3.4 206.0 2.3 291.0 38.2 292.0 9.0 293.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H25 N 0.056 g : 0.5 ml CDCl3 4'-octyl-4-biphenylcarbonitrile 
Assign. Shift(ppm)
A 7.67 B 7.66 C 7.493 D 7.280 E 2.646 F 1.64 G 1.40 to 1.26 J 1.31 to 1.24 K 0.88
Hz ppm Int.3074.22 7.693 68 3073.12 7.690 282 3072.27 7.688 200 3070.80 7.684 134 3066.77 7.674 214 3064.58 7.669 1000 3060.67 7.659 362 3059.57 7.656 963 3057.25 7.650 192 3053.22 7.640 129 3051.88 7.637 184 3050.90 7.634 272 3049.80 7.632 72 3001.22 7.510 84 2999.15 7.505 495 2997.31 7.500 186 2994.75 7.494 48 2992.80 7.489 198 2990.84 7.484 615 2988.77 7.479 111 2915.16 7.295 94 2913.21 7.290 505 2911.25 7.285 180 2906.74 7.274 155 2904.79 7.269 419 1065.31 2.666 217 1057.74 2.647 277 1049.80 2.627 235 669.43 1.676 39 654.79 1.639 154 647.09 1.620 121 639.53 1.601 54 552.98 1.384 33 552.61 1.383 34 545.53 1.366 88 545.17 1.365 88 544.68 1.363 88 536.50 1.343 193 536.25 1.342 193 531.86 1.331 249 529.05 1.324 301 527.71 1.321 298 519.29 1.300 275 514.40 1.288 356 511.72 1.281 385 508.30 1.272 454 358.03 0.896 264 351.32 0.880 936 344.24 0.862 314
in CDCl3
liquid film
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