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67589-69-9More Spectrum > 4β-Pentyl-1α-cyclohexanecarboxylic acid p-tolyl ester(67589-69-9)MS
4β-Pentyl-1α-cyclohexanecarboxylic acid p-tolyl ester
Product Name 4β-Pentyl-1α-cyclohexanecarboxylic acid p-tolyl ester
CAS67589-69-9
MFC19H28O2
MW288.42
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MassMS-NW-4493 p-tolyl trans-4-pentylcyclohexanecarboxylate C19H28O2 (Mass of molecular ion: 288)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.5 27.0 7.1 28.0 2.3 29.0 10.7 39.0 7.1 40.0 1.3 41.0 27.3 42.0 2.2 43.0 17.3 51.0 2.5 52.0 1.6 53.0 6.9 54.0 8.1 55.0 43.8 56.0 3.0 57.0 16.3 65.0 3.4 66.0 1.4 67.0 21.6 68.0 5.0 69.0 38.5 70.0 2.6 71.0 21.0 72.0 1.2 77.0 9.3 78.0 2.7 79.0 9.5 80.0 3.3 81.0 29.4 82.0 8.1 83.0 87.9 84.0 6.1 85.0 5.2 90.0 1.5 91.0 5.9 92.0 1.1 93.0 1.9 95.0 11.8 96.0 9.6 97.0 100.0 98.0 8.0 107.0 18.2 108.0 89.0 109.0 15.6 110.0 2.5 111.0 25.5 112.0 2.5 123.0 1.4 124.0 1.2 137.0 1.0 138.0 1.3 149.0 3.5 151.0 1.5 152.0 1.4 153.0 45.0 154.0 5.6 162.0 1.8 180.0 51.5 181.0 30.3 182.0 3.9 288.0 7.3 289.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H28 O2 0.038 g : 0.5 ml CDCl3 p-tolyl trans-4-pentylcyclohexanecarboxylate 
Assign. Shift(ppm)
A 7.149 B 6.930 C 2.449 D 2.327 E 2.119 F 1.864 G 1.542 J 1.37 to 1.18 K 1.20 L 0.96 M 0.889
Hz ppm Int.2864.87 7.169 36 2864.14 7.167 41 2862.18 7.162 237 2861.45 7.160 268 2860.11 7.157 117 2859.38 7.155 94 2855.71 7.146 95 2853.52 7.141 317 2852.78 7.139 294 2850.83 7.134 56 2850.22 7.132 49 2776.25 6.947 60 2773.68 6.941 442 2771.73 6.936 138 2767.09 6.924 121 2765.26 6.920 366 2762.57 6.913 50 991.58 2.482 60 987.92 2.472 35 982.79 2.460 61 979.25 2.451 120 975.71 2.442 64 970.58 2.429 38 967.04 2.420 65 963.50 2.411 34 930.05 2.328 1000 855.10 2.140 90 853.76 2.137 87 851.68 2.132 92 846.56 2.119 50 841.43 2.106 99 839.48 2.101 91 838.01 2.097 93 752.44 1.883 91 751.46 1.881 90 749.76 1.877 97 743.90 1.862 44 743.65 1.861 44 738.89 1.849 98 735.96 1.842 93 636.84 1.594 47 633.42 1.585 44 623.66 1.561 118 620.12 1.552 105 611.21 1.530 107 607.67 1.521 102 597.90 1.497 40 594.48 1.488 36 532.35 1.333 78 531.62 1.331 74 526.12 1.317 150 524.90 1.314 142 522.58 1.308 142 519.53 1.300 203 517.09 1.294 190 511.72 1.281 208 508.18 1.272 210 506.59 1.268 190 505.98 1.267 191 504.03 1.262 156 502.56 1.258 170 499.39 1.250 118 495.97 1.242 133 492.07 1.232 95 487.55 1.220 149 483.40 1.210 119 480.83 1.204 123 476.07 1.192 61 473.75 1.186 87 468.14 1.172 31 405.88 1.016 49 402.47 1.008 49 392.70 0.983 108 389.28 0.975 94 381.47 0.955 83 378.30 0.947 90 368.16 0.922 52 364.50 0.913 75 362.43 0.907 252 355.59 0.890 718 351.44 0.880 52 348.27 0.872 285
in CDCl3
KBr disc
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