Back ChemicalBook Home>CAS DataBase List>59662-53-2More Spectrum> 4'-Pentyl-4-biphenylcarboxylic acid p-cyanophenyl ester(59662-53-2) MS
4'-Pentyl-4-biphenylcarboxylic acid p-cyanophenyl ester(59662-53-2) MS
Molecular FormulaC25H23NO2
Molecular Weight369.46
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MassMS-NW-4488 p-cyanophenyl 4'-pentyl-4-biphenylcarboxylate C25H23NO2 (Mass of molecular ion: 369)
Source Temperature: 180 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 3.0 27.0 1.1 29.0 3.0 39.0 1.2 41.0 2.8 43.0 7.2 63.0 1.0 82.0 1.7 82.5 1.0 83.0 1.2 97.0 1.8 115.0 1.1 119.0 1.2 139.0 1.1 152.0 5.5 153.0 5.1 164.0 1.0 165.0 12.6 166.0 11.7 167.0 4.6 178.0 1.5 179.0 1.1 180.0 1.0 194.0 2.3 251.0 100.0 252.0 19.7 253.0 2.1 369.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C25 H23 N O2 0.040 g : 0.5 ml CDCl3 p-cyanophenyl 4'-pentyl-4-biphenylcarboxylate 
Assign. Shift(ppm)
A 8.219 B 7.72 C 7.57 D 7.38 E 7.28 F 2.660 G 1.67 J 1.49 to 1.22 K 0.91
Hz ppm Int.743.00 8.297 58 741.13 8.276 422 740.56 8.269 294 739.19 8.254 133 734.44 8.201 148 732.38 8.178 605 730.63 8.158 99 699.31 7.809 62 698.00 7.794 111 697.00 7.783 523 696.25 7.775 757 694.88 7.759 235 694.19 7.752 187 690.25 7.708 194 689.50 7.699 172 688.06 7.683 1000 685.81 7.658 167 682.81 7.625 277 680.81 7.602 108 676.44 7.553 120 674.38 7.530 536 672.56 7.510 108 666.44 7.442 105 664.25 7.417 713 662.00 7.392 185 658.75 7.356 78 657.19 7.338 509 655.25 7.317 572 653.06 7.292 71 650.50 7.264 79 648.44 7.241 494 246.31 2.751 98 243.38 2.718 31 239.44 2.674 191 231.50 2.585 157 157.13 1.755 55 156.81 1.751 55 156.13 1.744 56 155.19 1.733 62 154.13 1.721 50 153.81 1.718 48 150.63 1.682 74 149.50 1.670 80 148.75 1.661 74 147.81 1.651 79 147.50 1.647 80 145.13 1.621 57 144.69 1.616 56 144.00 1.608 65 142.19 1.588 72 137.69 1.538 44 137.00 1.530 42 136.44 1.524 42 135.56 1.514 53 134.31 1.500 56 132.06 1.475 52 130.63 1.459 62 130.25 1.455 63 126.69 1.415 255 125.13 1.398 131 123.88 1.384 210 121.31 1.355 183 119.69 1.337 230 116.44 1.301 124 115.88 1.294 127 112.50 1.257 100 110.44 1.234 36 90.31 1.009 34 87.88 0.982 136 87.13 0.973 148 84.69 0.946 90 81.56 0.911 481 75.50 0.844 106 74.25 0.830 76 72.69 0.812 36 72.56 0.811 36 71.88 0.803 38
in CDCl3
KBr disc
