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58573-95-8More Spectrum > 4'-Heptyl-4-biphenylcarboxylic acid p-cyanophenyl ester(58573-95-8)IR1
4'-Heptyl-4-biphenylcarboxylic acid p-cyanophenyl ester
Product Name 4'-Heptyl-4-biphenylcarboxylic acid p-cyanophenyl ester
CAS58573-95-8
MFC27H27NO2
MW397.51
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MassMS-NW-4495 p-cyanophenyl 4'-heptyl-4-biphenylcarboxylate C27H27NO2 (Mass of molecular ion: 397)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.6 18.0 6.6 27.0 1.2 28.0 1.1 29.0 2.6 39.0 1.2 41.0 3.6 43.0 5.8 55.0 1.6 57.0 3.6 63.0 1.0 64.0 1.0 82.0 1.2 97.0 1.7 119.0 2.8 121.0 1.8 139.0 1.0 152.0 4.4 153.0 3.3 165.0 11.6 166.0 12.4 167.0 5.7 178.0 1.8 179.0 1.2 180.0 1.5 191.0 1.9 194.0 3.0 195.0 1.0 207.0 1.2 277.0 1.1 279.0 100.0 280.0 22.4 281.0 2.7 397.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C27 H27 N O2 0.045 g : 0.5 ml CDCl3 p-cyanophenyl 4'-heptyl-4-biphenylcarboxylate 
Assign. Shift(ppm)
A 8.230 B 7.74 C 7.576 D 7.377 E 7.303 F 2.665 G 1.655 J 1.38 to 1.33 K 1.33 to 1.26 L 0.89
Hz ppm Int.3295.04 8.245 79 3293.21 8.241 472 3291.26 8.236 157 3288.33 8.229 35 3286.50 8.224 161 3284.55 8.219 516 3282.71 8.214 79 3098.14 7.753 119 3097.53 7.751 136 3095.83 7.747 972 3093.75 7.742 328 3088.99 7.730 325 3086.91 7.725 1000 3085.08 7.720 109 3084.59 7.719 109 3034.18 7.593 67 3032.23 7.588 376 3030.27 7.583 136 3025.76 7.572 144 3023.93 7.567 438 3021.85 7.562 69 2954.59 7.393 91 2952.15 7.387 596 2950.07 7.382 182 2947.75 7.376 35 2945.43 7.371 174 2943.36 7.365 513 2940.92 7.359 70 2922.36 7.313 367 2913.94 7.292 315 1072.88 2.685 158 1065.31 2.666 204 1057.50 2.647 167 676.64 1.694 33 669.31 1.675 80 662.23 1.658 114 654.42 1.638 86 646.85 1.619 39 558.35 1.398 31 552.61 1.383 63 552.12 1.382 64 543.21 1.360 201 539.55 1.351 232 535.52 1.340 250 529.79 1.326 120 526.12 1.317 165 519.78 1.301 205 516.72 1.293 256 514.89 1.289 235 510.50 1.278 169 504.27 1.262 45 503.78 1.261 46 362.43 0.907 216 355.59 0.890 704 348.51 0.873 236
in CDCl3
KBr disc
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