Back ChemicalBook Home>CAS DataBase List>56359-71-8More Spectrum> (1α,4β)-4-Propylcyclohexanecarboxylic acid 4-(pentyloxy)phenyl ester(56359-71-8) MS
(1α,4β)-4-Propylcyclohexanecarboxylic acid 4-(pentyloxy)phenyl ester(56359-71-8) MS
Molecular FormulaC21H32O3
Molecular Weight332.48
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MassMS-NW-4486 p-pentyloxyphenyl trans-4-propylcyclohexanecarboxylate C21H32O3 (Mass of molecular ion: 332)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 3.4 27.0 3.2 29.0 5.1 39.0 2.2 41.0 11.0 42.0 1.7 43.0 12.5 53.0 1.8 54.0 1.8 55.0 11.0 57.0 4.1 65.0 1.0 67.0 4.7 69.0 25.5 70.0 1.7 71.0 1.4 81.0 5.9 82.0 1.5 83.0 13.9 84.0 1.0 95.0 1.0 109.0 2.6 110.0 55.0 111.0 4.6 123.0 1.3 125.0 9.1 180.0 100.0 181.0 12.4 182.0 1.2 332.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H32 O3 0.037 g : 0.5 ml CDCl3 p-pentyloxyphenyl trans-4-propylcyclohexanecarboxylate 
Assign. Shift(ppm)
A 6.948 B 6.861 C 3.919 D 2.442 E 2.111 F 1.857 G 1.768 J 1.537 K 1.47 to 1.35 L 1.34 M 1.30 N 1.195 P 0.96 Q 0.93 R 0.89
Hz ppm Int.2786.01 6.972 49 2782.59 6.963 454 2780.27 6.957 160 2775.88 6.946 191 2773.44 6.940 729 2770.02 6.932 91 2749.15 6.879 89 2745.73 6.871 676 2743.29 6.865 178 2738.89 6.854 145 2736.57 6.848 403 1572.88 3.936 293 1566.28 3.920 610 1559.69 3.903 302 988.65 2.474 62 979.98 2.453 66 976.44 2.444 132 972.90 2.435 72 964.23 2.413 71 852.78 2.134 103 851.44 2.131 101 849.49 2.126 108 844.24 2.113 59 839.23 2.100 116 838.99 2.100 116 837.16 2.095 109 835.69 2.092 112 750.61 1.879 108 749.76 1.877 104 747.56 1.871 116 741.94 1.857 56 741.46 1.856 54 737.18 1.845 118 736.94 1.844 118 733.89 1.837 116 720.70 1.804 49 713.99 1.787 137 707.40 1.771 170 705.93 1.767 154 703.13 1.760 54 702.64 1.759 56 699.34 1.750 160 692.75 1.734 63 635.25 1.590 53 631.96 1.582 50 622.19 1.557 135 618.65 1.548 122 609.74 1.526 125 606.32 1.518 122 596.56 1.493 52 579.22 1.450 83 576.05 1.442 102 571.90 1.432 124 570.43 1.428 120 569.21 1.425 107 567.50 1.420 120 565.67 1.416 131 564.21 1.412 167 561.40 1.405 166 558.47 1.398 188 554.93 1.389 96 552.73 1.384 149 551.64 1.381 172 547.61 1.371 87 545.90 1.366 131 544.31 1.362 173 543.09 1.359 128 540.41 1.353 72 536.62 1.343 179 535.64 1.341 175 532.84 1.334 83 529.66 1.326 146 528.32 1.322 196 525.51 1.315 88 521.24 1.305 151 518.55 1.298 60 514.16 1.287 76 510.25 1.277 56 507.32 1.270 51 504.03 1.262 61 486.69 1.218 143 485.72 1.216 139 481.45 1.205 129 479.49 1.200 140 478.15 1.197 156 477.05 1.194 134 474.98 1.189 89 470.70 1.178 166 406.13 1.017 63 402.59 1.008 65 392.94 0.984 143 389.53 0.975 130 381.35 0.955 133 377.20 0.944 521 370.12 0.927 880 362.79 0.908 803 355.59 0.890 1000 348.27 0.872 421
in CDCl3
KBr disc
