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p-cyanophenyl trans-4-propylcyclohexanecarboxylate(62439-33-2) MS
Product Namep-cyanophenyl trans-4-propylcyclohexanecarboxylate
CAS62439-33-2
Molecular FormulaC17H21NO2
Molecular Weight271.35
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MassMS-NW-4497 p-cyanophenyl trans-4-propylcyclohexanecarboxylate C17H21NO2 (Mass of molecular ion: 271)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 5.6 29.0 6.4 39.0 6.5 40.0 1.1 41.0 23.9 42.0 2.0 43.0 6.7 53.0 3.8 54.0 5.8 55.0 29.3 56.0 1.5 57.0 16.0 63.0 1.4 64.0 1.8 65.0 1.0 67.0 11.8 68.0 2.3 69.0 100.0 70.0 5.7 71.0 1.0 77.0 1.1 79.0 2.3 81.0 11.6 82.0 3.9 83.0 54.3 84.0 3.7 90.0 2.6 91.0 1.0 95.0 2.4 102.0 1.8 110.0 1.1 119.0 2.8 120.0 1.7 123.0 1.3 125.0 86.8 126.0 9.0 153.0 55.4 154.0 6.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H21 N O2 0.024 g : 0.5 ml CDCl3 p-cyanophenyl trans-4-propylcyclohexanecarboxylate 
Assign. Shift(ppm)
A 7.678 B 7.209 C 2.491 D 2.13 E 1.88 F 1.543 G 1.33 J 1.30 K 1.21 L 0.983 M 0.895
Hz ppm Int.3075.93 7.697 78 3073.49 7.691 619 3071.41 7.686 211 3066.65 7.674 198 3064.58 7.669 762 3062.26 7.663 103 2887.82 7.226 91 2885.50 7.221 639 2883.30 7.215 222 2878.66 7.203 193 2876.46 7.198 657 2874.15 7.192 92 1008.54 2.524 65 999.88 2.502 65 996.34 2.494 135 992.68 2.484 74 984.13 2.463 73 858.03 2.147 94 856.93 2.145 96 856.45 2.144 95 855.47 2.141 102 854.61 2.139 106 853.39 2.136 92 851.07 2.130 51 849.73 2.127 57 848.27 2.123 49 843.87 2.112 115 843.14 2.110 110 842.53 2.109 111 841.19 2.105 119 759.16 1.900 102 758.79 1.899 100 758.30 1.898 98 758.06 1.897 98 756.35 1.893 111 755.98 1.892 113 750.61 1.879 52 750.00 1.877 51 749.63 1.876 52 747.92 1.872 64 745.48 1.866 115 743.77 1.862 104 742.31 1.858 118 739.14 1.850 54 738.77 1.849 51 637.57 1.596 49 624.39 1.563 132 620.73 1.554 125 612.06 1.532 123 608.40 1.523 126 598.63 1.498 49 546.02 1.367 71 544.80 1.364 71 538.70 1.348 124 537.48 1.345 152 534.55 1.338 70 531.74 1.331 124 530.27 1.327 197 527.22 1.320 83 525.63 1.316 58 524.66 1.313 78 523.07 1.309 148 519.90 1.301 63 518.19 1.297 55 517.33 1.295 51 515.99 1.292 72 515.38 1.290 80 511.72 1.281 54 508.30 1.272 62 490.97 1.229 141 489.87 1.226 144 485.72 1.216 124 483.76 1.211 141 482.54 1.208 148 482.18 1.207 147 481.20 1.205 138 479.13 1.199 90 476.68 1.193 82 474.85 1.189 170 469.36 1.175 51 467.77 1.171 51 412.84 1.034 60 412.48 1.033 59 409.55 1.025 61 399.66 1.001 128 396.00 0.991 117 388.06 0.971 96 386.47 0.968 88 384.89 0.964 105 382.93 0.959 73 374.63 0.938 51 371.34 0.930 64 364.62 0.913 526 360.60 0.903 50 357.42 0.895 1000 351.81 0.881 59 350.22 0.877 411
in CDCl3
KBr disc
