p-cyanophenyl trans-4-pentylcyclohexanecarboxylate(62439-35-4) MS
Product Namep-cyanophenyl trans-4-pentylcyclohexanecarboxylate
CAS62439-35-4
Molecular FormulaC19H25NO2
Molecular Weight299.41
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MassMS-NW-4499 p-cyanophenyl trans-4-pentylcyclohexanecarboxylate C19H25NO2 (Mass of molecular ion: 299)
Source Temperature: 160 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 2.8 27.0 6.7 28.0 1.2 29.0 12.2 39.0 8.0 40.0 1.4 41.0 31.6 42.0 2.4 43.0 19.5 51.0 1.1 53.0 5.3 54.0 9.2 55.0 48.9 56.0 3.3 57.0 18.0 63.0 1.7 64.0 2.2 65.0 1.5 66.0 1.1 67.0 20.9 68.0 4.5 69.0 40.0 70.0 2.6 71.0 22.5 72.0 1.3 77.0 1.6 79.0 3.7 80.0 1.3 81.0 22.2 82.0 5.6 83.0 87.5 84.0 6.0 85.0 5.1 90.0 3.7 91.0 1.7 95.0 8.5 96.0 3.5 97.0 100.0 98.0 7.6 102.0 2.1 109.0 2.9 111.0 25.5 112.0 2.4 118.0 1.4 119.0 3.7 120.0 2.0 151.0 1.0 153.0 60.1 154.0 7.7 181.0 61.5 182.0 8.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H25 N O2 0.035 g : 0.5 ml CDCl3 p-cyanophenyl trans-4-pentylcyclohexanecarboxylate 
Assign. Shift(ppm)
A 7.678 B 7.209 C 2.491 D 2.126 E 1.886 F 1.542 G 1.37 to 1.19 J 1.21 K 0.982 L 0.890
Hz ppm Int.3075.20 7.695 114 3072.75 7.689 759 3070.68 7.684 240 3067.87 7.677 39 3066.04 7.672 255 3063.84 7.667 812 3061.52 7.661 114 2887.45 7.225 124 2885.13 7.220 835 2883.06 7.214 248 2880.62 7.208 40 2878.30 7.203 246 2876.22 7.197 738 2873.78 7.191 101 1011.60 2.532 37 1008.06 2.523 77 1004.52 2.514 47 999.39 2.501 82 995.85 2.492 162 992.31 2.483 87 987.18 2.471 49 983.64 2.462 86 979.98 2.453 43 858.03 2.147 122 856.57 2.144 120 854.74 2.139 125 854.49 2.139 125 853.27 2.136 104 849.49 2.126 70 844.36 2.113 137 843.87 2.112 135 842.29 2.108 126 840.94 2.105 130 760.74 1.904 127 760.01 1.902 126 759.77 1.902 126 758.18 1.898 136 753.05 1.885 58 747.44 1.871 137 747.19 1.870 137 744.26 1.863 130 636.96 1.594 61 633.42 1.585 57 623.78 1.561 161 620.24 1.552 144 611.45 1.530 149 607.79 1.521 142 598.14 1.497 57 594.73 1.489 51 540.41 1.353 41 539.43 1.350 36 537.35 1.345 57 537.11 1.344 57 533.20 1.335 116 530.88 1.329 114 526.86 1.319 216 525.63 1.316 222 520.39 1.303 293 519.17 1.300 286 518.68 1.298 285 513.55 1.285 303 512.45 1.283 306 509.64 1.276 289 507.69 1.271 285 505.74 1.266 240 504.03 1.262 245 499.88 1.251 176 497.44 1.245 183 491.82 1.231 219 489.62 1.226 192 487.30 1.220 175 485.11 1.214 179 478.15 1.197 115 472.41 1.183 45 470.21 1.177 34 469.97 1.176 34 412.23 1.032 67 408.94 1.024 68 399.05 0.999 148 395.63 0.990 126 392.09 0.982 30 387.82 0.971 111 384.77 0.963 121 374.39 0.937 60 371.22 0.929 58 369.02 0.924 34 367.19 0.919 48 363.04 0.909 344 356.08 0.891 1000 353.64 0.885 86 348.88 0.873 390
in CDCl3
KBr disc
