4'-(Octyloxy)-4-biphenylcarbonitrile(52364-73-5) MS
Product Name4'-(Octyloxy)-4-biphenylcarbonitrile
CAS52364-73-5
Molecular FormulaC21H25NO
Molecular Weight307.43
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MassMS-NW-4503 4'-octyloxy-4-biphenylcarbonitrile C21H25NO (Mass of molecular ion: 307)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 1.2 27.0 2.3 29.0 5.8 39.0 1.7 41.0 9.6 42.0 1.2 43.0 11.3 55.0 4.8 57.0 7.5 69.0 2.8 71.0 4.1 139.0 1.0 140.0 2.4 151.0 1.5 166.0 3.9 177.0 1.4 178.0 1.9 194.0 1.8 195.0 100.0 196.0 14.9 197.0 1.3 307.0 22.4 308.0 5.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C21 H25 N O 0.045 g : 0.5 ml CDCl3 4'-octyloxy-4-biphenylcarbonitrile 
Assign. Shift(ppm)
A 7.64 B 7.504 C 6.979 D 3.986 E 1.80 F 1.60 to 1.13 G 0.90
Hz ppm Int.683.88 7.637 1000 680.25 7.596 34 677.06 7.560 205 674.81 7.535 72 670.31 7.485 64 668.06 7.460 278 665.25 7.428 32 628.94 7.023 268 626.75 6.999 66 622.19 6.948 53 620.00 6.923 176 363.88 4.063 85 357.56 3.993 213 351.25 3.922 119 161.63 1.805 51 161.31 1.802 51 158.75 1.773 34 157.88 1.763 31 157.31 1.757 33 155.50 1.737 43 155.06 1.732 43 154.50 1.726 39 154.06 1.721 38 138.06 1.542 34 137.63 1.537 36 137.25 1.533 35 136.81 1.528 36 136.19 1.521 36 135.44 1.513 36 133.56 1.492 42 133.06 1.486 43 132.94 1.485 43 131.88 1.473 44 118.44 1.323 314 116.50 1.301 280 116.25 1.299 280 84.94 0.949 70 84.63 0.945 68 82.88 0.926 61 82.50 0.922 60 79.75 0.891 225 75.88 0.848 37 73.69 0.823 47
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1H NMR 399.65 MHz C21 H25 N O 0.042 g : 0.5 ml CDCl3 4'-octyloxy-4-biphenylcarbonitrile Assign. Shift(ppm)
A 7.675 B 7.632 C 7.520 D 6.988 E 3.998 F 1.805 G 1.47 J 1.36 to 1.28 K 0.890
Hz ppm Int.3077.76 7.702 30 3077.51 7.701 30 3076.78 7.699 31 3074.22 7.693 95 3072.75 7.689 438 3072.02 7.687 312 3070.68 7.684 190 3066.28 7.673 277 3064.09 7.667 994 3062.74 7.664 259 3056.88 7.649 55 3054.44 7.643 256 3053.10 7.640 970 3050.90 7.634 252 3046.39 7.623 177 3045.04 7.620 288 3044.31 7.618 422 3042.85 7.614 79 3014.40 7.543 37 3012.82 7.539 91 3009.89 7.532 724 3007.69 7.526 229 3005.37 7.521 54 3003.05 7.515 239 3000.98 7.510 786 2997.92 7.502 88 2800.17 7.007 96 2797.12 6.999 743 2795.04 6.994 225 2790.41 6.983 214 2788.33 6.977 681 2785.28 6.970 75 1604.37 4.015 366 1597.78 3.998 772 1594.24 3.990 51 1591.19 3.982 378 735.47 1.841 79 728.76 1.824 210 726.07 1.817 78 721.68 1.806 242 720.46 1.803 189 713.75 1.786 229 707.28 1.770 95 601.68 1.506 44 601.20 1.505 43 595.09 1.490 115 593.26 1.485 106 587.89 1.472 171 581.91 1.457 115 579.83 1.451 141 579.59 1.451 141 575.07 1.439 48 572.63 1.433 74 558.96 1.399 46 556.52 1.393 54 556.03 1.392 56 550.90 1.379 109 548.95 1.374 118 545.04 1.364 156 539.67 1.351 242 534.42 1.338 288 532.23 1.332 308 530.76 1.329 283 526.73 1.318 327 520.75 1.304 365 517.70 1.296 470 516.97 1.294 478 515.63 1.291 456 511.60 1.281 270 504.76 1.264 75 502.32 1.257 48 501.59 1.256 44 500.61 1.253 40 500.24 1.252 40 499.02 1.249 34 370.00 0.926 31 369.38 0.925 32 369.14 0.924 32 368.90 0.924 32 362.92 0.909 294 360.84 0.903 204 359.86 0.901 206 359.50 0.900 206 356.08 0.891 1000 349.00 0.874 325
in CDCl3
KBr disc
