(4-Carboxybutyl)triphenylphosphonium bromide
Product Name (4-Carboxybutyl)triphenylphosphonium bromide
CAS17814-85-6
MFC23H24BrO2P
MW443.31
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MassMS-IW-0674 (4-carboxybutyl)triphenylphosphonium bromide C23H24BrO2P (Mass of molecular ion: 442)
Source Temperature: 210 °C Sample Temperature: 210 °C Direct, 75 eV
18.0 4.1 27.0 1.1 28.0 2.3 39.0 2.2 41.0 1.8 42.0 1.1 50.0 1.1 51.0 3.6 52.0 1.4 55.0 4.3 56.0 1.5 57.0 1.2 65.0 1.1 77.0 3.3 78.0 1.1 79.0 2.7 80.0 9.1 81.0 2.9 82.0 8.8 83.0 1.5 84.0 2.9 91.0 1.5 107.0 9.6 108.0 30.8 109.0 3.3 115.0 2.4 128.0 1.2 131.0 1.4 133.0 3.6 139.0 1.0 141.0 1.0 152.0 8.3 153.0 2.1 154.0 1.7 157.0 3.2 165.0 1.4 170.0 1.9 178.0 1.4 181.0 1.0 183.0 61.8 184.0 17.8 185.0 11.6 186.0 2.1 199.0 3.9 201.0 3.0 209.0 1.1 219.0 1.0 259.0 1.0 260.0 1.6 261.0 20.4 262.0 100.0 263.0 19.8 264.0 1.9 267.0 3.1 277.0 17.8 278.0 6.9 279.0 1.1 287.0 16.4 288.0 4.1 289.0 1.0 313.0 1.1 315.0 3.4 316.0 1.5 342.0 1.1 343.0 40.4 344.0 31.9 345.0 6.9
400 MHz in CDCl3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C23 H24 Br O2 P 0.013 g : 0.5 ml CDCl3 (4-carboxybutyl)triphenylphosphonium bromide 
Assign. Shift(ppm)
A 7.81 B 7.79 C 7.72 D 3.645 E 2.640 F 1.944 G 1.73
Hz ppm Int.3146.00 7.872 31 3145.63 7.871 35 3140.75 7.859 31 3140.50 7.859 31 3139.77 7.857 33 3138.31 7.853 50 3137.21 7.850 55 3136.23 7.848 48 3133.79 7.842 61 3132.81 7.839 70 3132.45 7.838 69 3131.47 7.836 74 3129.64 7.831 129 3128.30 7.828 230 3126.95 7.825 296 3126.22 7.823 344 3124.02 7.817 665 3122.44 7.813 500 3121.22 7.810 631 3119.02 7.805 794 3116.94 7.800 905 3115.84 7.797 1000 3114.14 7.793 727 3112.79 7.789 680 3111.45 7.786 876 3106.45 7.773 274 3104.25 7.768 918 3102.78 7.764 748 3092.41 7.738 664 3088.87 7.729 761 3086.06 7.722 591 3085.21 7.720 687 3082.40 7.713 638 3081.54 7.711 730 3080.69 7.709 680 3077.51 7.701 370 3076.54 7.699 289 3075.56 7.696 225 3073.97 7.692 298 3073.00 7.690 234 3069.34 7.681 46 3068.73 7.679 40 1471.31 3.682 107 1469.48 3.677 67 1468.51 3.675 68 1468.14 3.674 67 1465.94 3.669 76 1462.77 3.661 111 1458.13 3.649 158 1455.08 3.641 167 1449.83 3.628 106 1448.12 3.624 77 1447.27 3.622 76 1447.02 3.621 76 1445.19 3.617 60 1444.70 3.615 61 1444.46 3.615 61 1441.77 3.608 106 1066.89 2.670 31 1062.13 2.658 188 1059.20 2.651 95 1055.30 2.641 394 1048.34 2.624 199 792.11 1.983 31 789.67 1.976 60 788.33 1.973 50 787.96 1.972 47 787.60 1.971 46 787.23 1.970 47 786.62 1.969 50 782.96 1.960 176 776.00 1.942 261 769.17 1.925 183 764.40 1.913 41 762.94 1.910 53 762.21 1.908 57 709.35 1.775 42 708.98 1.775 41 708.01 1.772 38 707.40 1.771 37 706.67 1.769 37 706.30 1.768 40 701.29 1.755 104 701.05 1.755 104 699.34 1.750 89 697.27 1.745 98 694.09 1.737 156 693.60 1.736 157 690.31 1.728 115 689.33 1.725 117 689.09 1.725 117 688.35 1.723 117 685.91 1.717 146 683.35 1.710 101 682.50 1.708 86 680.91 1.704 70 680.05 1.702 70 679.81 1.702 70 678.10 1.697 84
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1H NMR 399.65 MHz C23 H24 Br O2 P 0.032 g : 0.5 ml DMSO-d6 (4-carboxybutyl)triphenylphosphonium bromide Assign. Shift(ppm)
A 12.1 B 7.91 C 7.83 D 7.79 E 3.668 F 2.302 G 1.713 J 1.576
Hz ppm Int.3171.34 7.936 120 3169.33 7.931 122 3167.32 7.926 94 3164.20 7.918 287 3162.37 7.913 308 3157.06 7.900 217 3155.41 7.896 227 3153.76 7.892 114 3138.74 7.854 286 3131.60 7.836 553 3130.32 7.833 481 3126.47 7.824 237 3119.69 7.807 1000 3117.86 7.802 689 3116.03 7.797 617 3112.73 7.789 481 3109.07 7.780 459 3104.86 7.769 196 3101.01 7.760 134 1479.99 3.704 56 1477.24 3.697 37 1476.87 3.696 37 1472.11 3.684 59 1471.74 3.683 59 1470.46 3.680 58 1469.18 3.677 61 1468.81 3.676 61 1465.88 3.668 94 1465.52 3.668 94 1464.42 3.665 98 1460.75 3.656 59 1459.65 3.653 60 1458.55 3.650 61 1458.19 3.649 60 1450.31 3.629 60 927.37 2.321 136 920.23 2.303 300 913.08 2.285 156 692.55 1.733 93 685.41 1.716 142 678.08 1.697 115 670.57 1.678 43 641.63 1.606 63 639.43 1.600 56 638.52 1.598 55 634.31 1.588 89 633.94 1.587 89 626.61 1.568 84 621.85 1.556 46 621.12 1.555 46 620.38 1.553 46 619.65 1.551 46
in CDCl3
in DMSO-d6
KBr disc
nujol mull
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