Back ChemicalBook Home>CAS DataBase List>67589-50-8More Spectrum> 4β-Butyl-1α-cyclohexanecarboxylic acid p-hexyloxyphenyl ester(67589-50-8) 1H NMR
4β-Butyl-1α-cyclohexanecarboxylic acid p-hexyloxyphenyl ester(67589-50-8) 1H NMR
Molecular FormulaC23H36O3
Molecular Weight360.53
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MassMS-NW-4489 p-hexyloxyphenyl trans-4-butylcyclohexanecarboxylate C23H36O3 (Mass of molecular ion: 360)
Source Temperature: 170 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.2 27.0 2.2 29.0 4.4 39.0 1.5 41.0 9.6 42.0 1.0 43.0 13.8 53.0 1.2 54.0 1.5 55.0 11.8 56.0 1.2 57.0 4.9 67.0 4.2 69.0 7.5 71.0 1.1 81.0 5.9 82.0 1.1 83.0 16.6 84.0 1.2 95.0 2.1 97.0 5.5 109.0 2.3 110.0 39.8 111.0 3.3 139.0 3.2 194.0 100.0 195.0 13.4 196.0 1.3 360.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C23 H36 O3 0.05 ml : 0.5 ml CDCl3 p-hexyloxyphenyl trans-4-butylcyclohexanecarboxylate 
Assign. Shift(ppm)
A 6.943 B 6.852 C 3.907 D 2.434 E 2.108 F 1.857 G 1.753 J 1.530 K 1.44 L 1.36 to 1.31 M 1.31 to 1.20 N 1.21 P 0.95 Q 0.93 R 0.87
Hz ppm Int.2783.57 6.966 62 2780.15 6.957 566 2777.83 6.951 198 2775.63 6.946 52 2773.44 6.940 230 2771.00 6.934 869 2767.58 6.926 109 2745.48 6.870 109 2742.19 6.862 815 2739.75 6.856 221 2735.35 6.845 180 2732.91 6.839 501 2729.49 6.830 50 1568.12 3.924 340 1561.52 3.908 706 1554.93 3.891 352 985.35 2.466 77 976.68 2.444 81 973.14 2.435 161 969.60 2.427 87 960.94 2.405 86 851.07 2.130 135 849.85 2.127 133 847.90 2.122 141 842.53 2.109 77 837.28 2.096 150 835.69 2.092 139 834.23 2.088 141 749.15 1.875 145 747.92 1.872 150 736.82 1.844 152 734.13 1.837 144 714.84 1.789 78 708.01 1.772 196 705.32 1.765 75 701.05 1.755 230 699.58 1.751 172 693.12 1.735 211 686.52 1.718 89 633.18 1.585 66 629.88 1.577 66 620.12 1.552 173 616.58 1.543 156 607.67 1.521 162 604.13 1.512 157 594.36 1.488 75 590.82 1.479 92 583.37 1.460 121 581.42 1.455 122 576.29 1.442 156 573.85 1.436 143 570.43 1.428 102 568.24 1.422 124 561.16 1.405 65 547.36 1.370 59 546.75 1.369 60 542.85 1.359 102 538.70 1.348 197 536.50 1.343 503 533.33 1.335 398 532.23 1.332 394 529.30 1.325 579 527.34 1.320 267 526.37 1.318 299 523.19 1.310 221 521.97 1.307 295 519.90 1.301 307 516.48 1.293 379 515.01 1.289 326 512.08 1.282 420 509.89 1.276 322 505.62 1.266 218 500.12 1.252 120 498.41 1.248 127 492.92 1.234 119 489.14 1.224 161 486.69 1.218 192 483.40 1.210 222 477.91 1.196 115 404.30 1.012 67 404.05 1.012 67 400.88 1.004 74 391.11 0.979 157 387.82 0.971 139 384.28 0.962 59 379.64 0.950 139 376.83 0.943 159 372.19 0.932 92 367.07 0.919 396 364.26 0.912 482 362.06 0.906 449 360.11 0.902 1000 358.76 0.898 468 357.30 0.895 922 354.00 0.886 346 352.91 0.884 354 350.22 0.877 252
in CDCl3
liquid film
