(4-ETHOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE(82105-88-2) MS
Product Name(4-ETHOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE
CAS82105-88-2
Molecular FormulaC27H26BrOP
Molecular Weight477.37
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MassMS-NW-7856 (p-ethoxybenzyl)triphenylphosphonium bromide C27H26BrOP (Mass of molecular ion: 476)
Source Temperature: 210 °C Sample Temperature: 220 °C Direct, 75 eV
27.0 2.7 29.0 2.3 39.0 2.8 50.0 1.5 51.0 6.2 52.0 3.3 57.0 1.6 63.0 1.7 65.0 1.5 77.0 8.0 78.0 7.1 79.0 1.4 80.0 1.0 81.0 1.2 83.0 1.1 89.0 2.5 90.0 2.2 91.0 1.1 106.0 3.5 107.0 45.3 108.0 32.4 109.0 2.8 115.0 3.1 128.0 1.2 131.0 2.4 133.0 3.0 135.0 35.0 136.0 4.2 139.0 1.6 141.0 1.4 152.0 7.9 153.0 2.0 154.0 1.6 157.0 3.8 170.0 2.8 181.0 1.4 183.0 66.0 184.0 14.2 185.0 10.1 186.0 1.3 211.0 1.0 214.0 1.8 216.0 1.7 240.0 1.5 261.0 15.1 262.0 100.0 263.0 19.9 264.0 1.9
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C27 H26 Br O P 0.033 g : 0.5 ml CDCl3 (p-ethoxybenzyl)triphenylphosphonium bromide 
Assign. Shift(ppm)
A 7.781 B 7.70 C 7.65 D 6.980 E 6.634 F 5.192 G 3.929 J 1.362 J(B,P-31)=12.2HZ J(F,P-31)=13.6HZ
Hz ppm Int.3119.51 7.806 165 3118.16 7.803 159 3117.43 7.801 177 3115.72 7.797 126 3112.18 7.788 420 3111.21 7.785 364 3110.23 7.783 446 3106.08 7.773 172 3104.74 7.769 315 3103.27 7.765 301 3101.56 7.761 165 3086.91 7.725 431 3079.71 7.707 765 3078.37 7.703 670 3076.17 7.698 303 3074.58 7.694 396 3067.63 7.676 849 3066.04 7.672 787 3064.21 7.668 662 3060.30 7.658 675 3056.76 7.649 667 3053.22 7.640 657 3048.83 7.629 296 3045.17 7.620 226 2795.78 6.996 238 2793.21 6.990 270 2786.99 6.974 306 2784.42 6.968 274 2655.15 6.644 404 2646.97 6.624 358 2082.03 5.210 391 2068.48 5.176 389 1581.05 3.957 130 1574.10 3.939 430 1567.14 3.922 436 1560.06 3.904 138 551.39 1.380 476 544.43 1.363 1000 537.48 1.345 461
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1H NMR 89.56 MHz C27 H26 Br O P 0.040 g : 0.5 ml CDCl3 (p-ethoxybenzyl)triphenylphosphonium bromide Assign. Shift(ppm)
A 7.74 to 7.64 B 6.970 C 6.635 D 5.179 E 3.919 F 1.361
Hz ppm Int.706.38 7.888 53 703.13 7.851 63 700.38 7.821 150 699.50 7.811 141 697.69 7.791 183 696.44 7.777 187 693.19 7.740 758 690.88 7.715 547 684.31 7.641 1000 681.75 7.613 293 679.44 7.587 257 675.13 7.539 51 631.13 7.048 71 628.75 7.021 79 622.38 6.950 131 619.81 6.921 123 597.50 6.672 172 589.06 6.578 107 471.25 5.262 139 457.50 5.109 142 355.38 3.969 152 348.44 3.891 163 341.63 3.815 56 128.63 1.437 178 121.75 1.360 368 114.69 1.281 150
in CDCl3
KBr disc
nujol mull
