4-(4-ETHYLCYCLOHEXYL)BENZONITRILE(73592-81-1) 13C NMR
Product Name4-(4-ETHYLCYCLOHEXYL)BENZONITRILE
CAS73592-81-1
Molecular FormulaC15H19N
Molecular Weight213.32
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MassMS-NW-4508 p-(4-ethylcyclohexyl)benzonitrile C15H19N (Mass of molecular ion: 213)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.1 27.0 12.7 28.0 1.4 29.0 15.8 39.0 16.8 40.0 2.3 41.0 39.4 42.0 6.7 43.0 26.7 50.0 2.5 51.0 5.4 52.0 2.3 53.0 6.1 54.0 7.3 55.0 50.3 56.0 11.6 57.0 1.1 62.0 1.3 63.0 4.1 64.0 1.8 65.0 2.9 66.0 1.7 67.0 15.4 68.0 5.9 69.0 29.7 70.0 7.3 71.0 12.0 74.0 1.0 75.0 2.7 76.0 3.6 77.0 6.7 78.0 2.9 79.0 2.9 80.0 2.7 81.0 47.0 82.0 12.0 83.0 4.2 84.0 50.1 85.0 3.4 88.0 1.2 89.0 9.6 90.0 3.1 91.0 2.0 95.0 14.5 96.0 3.0 97.0 9.6 101.0 3.5 102.0 7.5 103.0 8.9 104.0 10.7 105.0 1.3 107.0 3.2 108.0 23.7 109.0 7.2 110.0 20.5 111.0 1.9 113.0 1.2 114.0 2.0 115.0 13.2 116.0 76.1 117.0 24.1 118.0 3.0 127.0 4.0 128.0 10.3 129.0 100.0 130.0 53.8 131.0 10.8 132.0 1.1 140.0 8.0 141.0 3.5 142.0 44.9 143.0 47.3 144.0 13.0 145.0 11.2 146.0 1.4 153.0 1.7 154.0 3.1 155.0 2.5 156.0 6.7 157.0 5.6 158.0 2.8 159.0 2.3 167.0 4.0 168.0 2.1 170.0 3.3 171.0 1.0 172.0 1.0 182.0 1.1 183.0 1.6 184.0 19.2 185.0 6.4 186.0 1.0 198.0 2.1 212.0 3.2 213.0 88.8 214.0 15.6 215.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H19 N 0.033 g : 0.5 ml CDCl3 p-(4-ethylcyclohexyl)benzonitrile 
Assign. Shift(ppm)
A 7.565 B 7.301 C 2.521 D 1.89 E 1.432 F 1.270 G 1.20 J 1.053 K 0.911
Hz ppm Int.3029.79 7.582 84 3028.08 7.577 472 3026.25 7.573 176 3021.48 7.561 187 3019.65 7.556 569 3017.94 7.552 103 2923.83 7.316 84 2923.34 7.315 94 2922.12 7.312 408 2921.63 7.311 535 2920.17 7.307 163 2919.68 7.306 146 2917.85 7.302 37 2917.60 7.301 37 2917.24 7.300 36 2915.04 7.294 150 2913.57 7.291 461 2913.09 7.290 352 2911.87 7.287 82 2903.93 7.267 613 1020.02 2.553 51 1016.72 2.545 33 1010.86 2.530 56 1007.81 2.522 104 1004.52 2.514 60 998.66 2.499 33 995.61 2.492 55 766.72 1.919 119 763.43 1.911 168 760.25 1.903 222 757.57 1.896 164 755.62 1.891 137 752.56 1.884 177 750.37 1.878 218 748.78 1.874 187 747.31 1.870 166 744.02 1.862 119 740.72 1.854 44 593.99 1.487 38 589.97 1.477 52 580.32 1.453 121 577.15 1.445 114 567.99 1.422 134 564.94 1.414 118 555.18 1.390 49 552.25 1.382 48 523.68 1.311 40 522.46 1.308 39 516.48 1.293 154 515.01 1.289 104 509.16 1.275 297 502.08 1.257 251 495.36 1.240 85 494.26 1.237 84 491.09 1.229 44 488.04 1.222 58 484.99 1.214 40 482.54 1.208 45 480.71 1.203 43 479.86 1.201 46 478.15 1.197 34 476.68 1.193 46 475.34 1.190 34 473.75 1.186 39 470.83 1.179 37 469.73 1.176 35 438.60 1.098 70 435.55 1.090 70 425.90 1.066 125 422.73 1.058 126 412.72 1.033 96 409.06 1.024 55 401.61 1.005 40 374.88 0.939 37 370.85 0.928 531 363.65 0.910 1000 359.86 0.901 37 356.20 0.892 440
in CDCl3
KBr disc
