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p-(4-Pentylcyclohexyl)benzonitrile(62788-05-0) MS
Product Namep-(4-Pentylcyclohexyl)benzonitrile
CAS62788-05-0
Molecular Formula
Molecular Weight
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MassMS-NW-4506 p-(4-pentylcyclohexyl)benzonitrile C18H25N (Mass of molecular ion: 255)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.4 27.0 14.8 28.0 5.6 29.0 26.9 39.0 16.1 40.0 2.6 41.0 50.2 42.0 7.0 43.0 29.5 44.0 1.1 50.0 1.4 51.0 3.6 52.0 1.7 53.0 7.0 54.0 10.1 55.0 60.6 56.0 15.8 57.0 23.9 58.0 1.1 63.0 2.6 64.0 1.0 65.0 2.8 66.0 2.3 67.0 23.9 68.0 10.4 69.0 29.0 70.0 37.2 71.0 21.6 72.0 1.1 75.0 1.8 76.0 2.3 77.0 5.7 78.0 2.5 79.0 4.3 80.0 4.7 81.0 41.0 82.0 27.5 83.0 18.2 84.0 5.6 89.0 7.5 90.0 2.4 91.0 2.2 93.0 1.4 94.0 2.8 95.0 11.2 96.0 59.1 97.0 22.6 98.0 5.2 101.0 2.3 102.0 5.7 103.0 7.9 104.0 11.7 105.0 1.6 107.0 2.6 109.0 6.5 110.0 4.6 111.0 3.6 112.0 2.1 114.0 1.4 115.0 12.4 116.0 97.4 117.0 23.0 118.0 2.9 123.0 2.0 124.0 3.5 126.0 11.4 127.0 3.3 128.0 8.8 129.0 99.1 130.0 67.8 131.0 13.4 132.0 1.3 137.0 6.1 138.0 1.7 140.0 7.0 141.0 3.6 142.0 50.0 143.0 46.7 144.0 14.7 145.0 11.3 146.0 1.3 149.0 3.3 150.0 52.0 151.0 9.0 152.0 9.4 153.0 2.1 154.0 4.2 155.0 4.0 156.0 9.3 157.0 6.6 158.0 3.3 166.0 1.0 167.0 5.5 168.0 5.0 169.0 1.3 170.0 4.6 171.0 1.8 172.0 1.8 176.0 1.0 182.0 2.6 183.0 5.3 184.0 29.8 185.0 10.3 186.0 2.4 198.0 5.8 199.0 5.2 200.0 2.1 212.0 4.3 213.0 1.7 226.0 3.1 227.0 3.0 254.0 2.9 255.0 100.0 256.0 20.1 257.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H25 N 0.05 ml : 0.5 ml CDCl3 p-(4-pentylcyclohexyl)benzonitrile 
Assign. Shift(ppm)
A 7.549 B 7.294 C 2.515 D 1.87 E 1.43 F 1.37 to 1.220 G 1.23 J 1.05 K 0.892
Hz ppm Int.3023.32 7.565 133 3021.61 7.561 606 3019.78 7.557 236 3015.01 7.545 257 3013.18 7.540 704 3011.47 7.536 154 2918.95 7.304 639 2917.48 7.301 237 2914.67 7.294 67 2912.23 7.287 218 2910.77 7.284 554 1020.63 2.554 35 1017.82 2.547 65 1014.53 2.539 46 1008.42 2.524 75 1005.49 2.516 133 1002.44 2.509 82 996.34 2.494 47 993.29 2.486 71 990.23 2.478 41 755.00 1.890 345 744.38 1.863 362 743.65 1.861 365 592.16 1.482 47 588.26 1.472 79 578.37 1.448 164 575.56 1.441 171 566.16 1.417 194 563.11 1.410 169 553.34 1.385 84 550.54 1.378 79 543.95 1.362 51 541.38 1.355 71 534.30 1.337 179 528.20 1.322 338 521.85 1.306 420 517.70 1.296 318 515.14 1.289 431 512.21 1.282 379 510.38 1.278 395 507.20 1.270 338 501.83 1.256 235 500.24 1.252 250 496.83 1.244 305 491.94 1.231 255 483.64 1.211 158 477.91 1.196 66 475.46 1.190 48 438.48 1.098 87 435.55 1.090 95 426.03 1.067 177 422.85 1.059 168 412.84 1.034 154 401.86 1.006 59 398.68 0.998 38 398.07 0.997 38 368.65 0.923 53 363.65 0.910 396 356.81 0.893 1000 349.61 0.875 434
in CDCl3
KBr disc
