Back ChemicalBook Home>CAS DataBase List>67589-46-2More Spectrum> 4α-Butylcyclohexane-1β-carboxylic acid 4-methoxyphenyl ester(67589-46-2) MS
4α-Butylcyclohexane-1β-carboxylic acid 4-methoxyphenyl ester(67589-46-2) MS
Molecular FormulaC18H26O3
Molecular Weight290.4
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MassMS-NW-4487 p-methoxyphenyl trans-4-butylcyclohexanecarboxylate C18H26O3 (Mass of molecular ion: 290)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.4 27.0 1.8 29.0 2.9 39.0 1.9 41.0 8.8 43.0 3.0 53.0 1.4 54.0 1.7 55.0 11.2 57.0 5.2 67.0 4.5 69.0 10.1 71.0 1.6 77.0 1.0 79.0 1.0 81.0 5.8 82.0 1.0 83.0 24.0 84.0 1.7 95.0 2.6 97.0 8.3 109.0 6.1 123.0 2.1 124.0 100.0 125.0 8.1 139.0 4.3 290.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H26 O3 0.038 g : 0.5 ml CDCl3 p-methoxyphenyl trans-4-butylcyclohexanecarboxylate 
Assign. Shift(ppm)
A 6.967 B 6.873 C 3.783 D 2.445 E 2.115 F 1.864 G 1.538 J 1.35 to 1.21 K 1.25 L 1.21 M 0.96 N 0.896
Hz ppm Int.2789.92 6.981 173 2787.60 6.976 65 2783.20 6.965 77 2780.76 6.958 286 2777.34 6.950 38 2753.91 6.891 34 2750.37 6.882 261 2748.05 6.877 73 2743.65 6.866 61 2741.21 6.860 168 1512.08 3.784 1000 977.78 2.447 52 853.64 2.136 40 852.42 2.133 40 850.34 2.128 43 840.09 2.103 46 838.01 2.097 43 836.67 2.094 44 752.08 1.882 43 750.37 1.878 45 739.75 1.851 45 739.38 1.851 45 736.69 1.844 44 622.07 1.557 53 618.53 1.548 49 609.62 1.526 48 606.08 1.517 47 524.41 1.313 34 520.87 1.304 79 519.53 1.300 72 517.21 1.295 112 515.87 1.291 94 512.82 1.284 130 510.38 1.278 100 506.47 1.268 69 502.81 1.259 40 500.73 1.253 42 499.27 1.250 38 498.54 1.248 38 495.48 1.240 36 494.26 1.237 33 490.60 1.228 49 488.16 1.222 59 485.11 1.214 69 479.61 1.201 36 479.37 1.200 36 393.68 0.986 46 390.38 0.977 42 382.32 0.957 36 379.27 0.950 41 364.62 0.913 91 362.67 0.908 56 357.79 0.896 242 355.22 0.889 60 350.59 0.878 68
in CDCl3
KBr disc
