Back ChemicalBook Home>CAS DataBase List>107219-55-6More Spectrum> 4'-Pentyl-4-biphenylcarboxylic acid 2-methylbutyl ester(107219-55-6) IR1
4'-Pentyl-4-biphenylcarboxylic acid 2-methylbutyl ester(107219-55-6) IR1
Molecular FormulaC23H30O2
Molecular Weight
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MassMS-NW-4496 2-methylbutyl 4'-pentyl-4-biphenylcarboxylate C23H30O2 (Mass of molecular ion: 338)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 3.8 27.0 4.7 28.0 1.4 29.0 12.9 39.0 3.1 41.0 13.3 42.0 2.4 43.0 22.4 55.0 6.7 57.0 3.9 63.0 1.0 69.0 1.5 70.0 6.0 71.0 1.8 76.0 1.3 77.0 1.2 82.0 2.2 82.5 1.3 83.0 1.3 89.0 1.2 97.0 1.6 115.0 2.7 128.0 1.3 139.0 2.4 151.0 2.1 152.0 12.2 153.0 9.0 154.0 1.4 163.0 1.5 164.0 2.4 165.0 30.6 166.0 23.1 167.0 10.9 168.0 1.6 178.0 3.9 179.0 2.7 180.0 1.8 181.0 1.8 194.0 2.3 195.0 1.6 198.0 1.6 207.0 1.4 211.0 90.5 212.0 17.7 213.0 2.7 223.0 1.8 224.0 1.7 225.0 1.3 251.0 45.8 252.0 9.9 253.0 1.4 268.0 100.0 269.0 23.7 270.0 3.0 281.0 26.7 282.0 6.0 338.0 43.9 339.0 11.3 340.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C23 H30 O2 0.05 ml : 0.5 ml CDCl3 2-methylbutyl 4'-pentyl-4-biphenylcarboxylate 
Assign. Shift(ppm)
A 8.097 B 7.638 C 7.528 D 7.260 E *1 4.220 F *1 4.146 G 2.636 J 1.868 K 1.64 L *2 1.545 M 1.39 to 1.30 N *2 1.29 P 1.024 Q 0.964 R 0.903 J(E,F)=10.7HZ. J(E,J)=6.0HZ. J(F,J)=6.6HZ.
Hz ppm Int.3242.31 8.113 84 3240.48 8.109 490 3238.53 8.104 167 3233.76 8.092 170 3232.30 8.088 354 3231.81 8.087 533 3229.98 8.083 98 3058.72 7.654 94 3056.88 7.649 532 3056.40 7.648 367 3054.93 7.645 201 3053.10 7.640 43 3052.00 7.637 34 3050.17 7.633 158 3048.22 7.628 495 3046.39 7.623 112 3015.01 7.545 66 3012.94 7.539 383 3011.11 7.535 143 3006.59 7.524 147 3004.64 7.519 458 3002.69 7.514 76 2907.10 7.275 71 2905.15 7.270 378 2903.20 7.265 137 2898.68 7.254 118 2896.73 7.249 330 1696.53 4.246 129 1690.55 4.231 127 1685.79 4.219 217 1679.81 4.204 231 1664.18 4.165 228 1657.59 4.148 218 1653.56 4.138 123 1646.85 4.121 130 1061.28 2.656 178 1053.71 2.637 218 1045.78 2.617 183 756.96 1.895 43 750.98 1.880 64 750.24 1.878 64 744.14 1.862 65 743.53 1.861 66 737.30 1.845 45 671.88 1.682 68 669.56 1.676 33 664.43 1.663 104 662.60 1.658 81 659.42 1.650 79 656.74 1.644 123 653.69 1.636 84 650.76 1.629 71 649.05 1.625 89 641.60 1.606 37 630.86 1.579 53 625.12 1.565 64 623.29 1.560 57 619.14 1.550 32 617.55 1.546 94 615.97 1.542 32 611.57 1.531 63 609.74 1.526 75 604.13 1.512 60 549.80 1.376 53 548.83 1.374 54 542.36 1.358 320 538.57 1.348 271 536.99 1.344 208 535.16 1.340 427 530.76 1.329 207 527.95 1.322 145 524.66 1.313 73 523.07 1.309 122 517.09 1.294 76 515.63 1.291 85 509.52 1.275 84 508.30 1.272 38 501.95 1.256 54 419.19 1.049 34 412.60 1.033 1000 405.88 1.016 960 398.07 0.997 38 392.33 0.982 463 384.89 0.964 983 377.44 0.945 375 370.24 0.927 53 367.07 0.919 225 364.62 0.913 123 362.18 0.907 199 360.23 0.902 658 354.98 0.889 116 353.03 0.884 181 350.59 0.878 41
in CDCl3
liquid film
