CYCLOHEXYLPHENYLACETIC ACID(3894-09-5) MS
Product NameCYCLOHEXYLPHENYLACETIC ACID
CAS3894-09-5
Molecular FormulaC14H18O2
Molecular Weight218.29
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MassMS-NW-8822 cyclohexylphenylacetic acid C14H18O2 (Mass of molecular ion: 218)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 3.4 27.0 1.0 29.0 1.5 39.0 2.2 41.0 9.2 51.0 1.1 53.0 1.4 54.0 1.0 55.0 23.2 56.0 1.2 65.0 2.0 67.0 2.2 77.0 3.4 79.0 2.8 81.0 2.7 83.0 9.7 89.0 1.2 90.0 3.3 91.0 22.8 92.0 3.1 104.0 1.1 105.0 3.0 115.0 3.3 116.0 1.2 117.0 4.3 118.0 22.4 119.0 2.2 128.0 1.5 129.0 2.0 130.0 1.1 135.0 1.6 136.0 100.0 137.0 9.2 218.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H18 O2 0.040 g : 0.5 ml CDCl3 cyclohexylphenylacetic acid 
Assign. Shift(ppm)
A 11.7 B 7.32 C 7.29 D 7.26 E 3.205 F 1.995 G 1.893 J 1.734 K 1.63 L 1.59 M 1.32 N 1.28 P 1.15 R 1.12 S 1.07 T 0.729 ASSIGNED BY C-H AND H-H COSY
Hz ppm Int.2941.47 7.361 30 2932.31 7.338 151 2930.11 7.332 221 2927.55 7.326 172 2923.70 7.316 1000 2922.60 7.313 910 2916.19 7.297 659 2914.18 7.292 192 2912.16 7.287 115 2910.33 7.283 165 2909.05 7.279 220 2908.32 7.278 221 2906.67 7.274 88 2904.65 7.268 186 2902.46 7.263 249 2900.08 7.257 145 2899.34 7.255 137 2896.78 7.249 155 2895.86 7.246 186 2892.38 7.238 74 2890.00 7.232 81 2887.44 7.225 40 1286.56 3.220 333 1275.94 3.193 337 812.89 2.035 47 809.78 2.027 36 809.41 2.026 36 805.20 2.015 68 801.90 2.007 117 798.79 1.999 75 794.21 1.988 70 790.91 1.980 116 787.62 1.971 72 783.22 1.960 32 779.92 1.952 50 776.63 1.944 35 762.89 1.909 97 750.43 1.878 97 698.96 1.749 90 687.24 1.720 102 643.46 1.611 163 531.55 1.331 124 519.83 1.301 153 510.85 1.279 99 507.55 1.270 59 505.17 1.265 35 504.62 1.263 34 501.33 1.255 41 498.03 1.247 43 473.30 1.185 39 470.37 1.177 46 468.72 1.173 35 467.99 1.171 34 467.26 1.170 33 466.89 1.169 33 461.03 1.154 141 458.47 1.148 156 455.53 1.140 94 449.31 1.125 259 446.01 1.117 172 441.98 1.106 132 440.33 1.102 141 438.50 1.098 118 433.01 1.084 119 430.99 1.079 103 429.53 1.075 112 422.02 1.056 92 418.54 1.048 91 409.38 1.025 37 405.90 1.016 32 309.37 0.775 38 307.72 0.770 30 306.07 0.766 45 303.32 0.759 31 302.96 0.759 31 302.59 0.758 31 301.31 0.754 30 297.10 0.744 80 293.80 0.736 81 289.40 0.725 41 285.19 0.714 77 281.71 0.705 67 272.92 0.683 31
in CDCl3
KBr disc
nujol mull
