Phosphonium, (10-carboxydecyl)triphenyl-, bromide(7530-96-3) IR2
Product NamePhosphonium, (10-carboxydecyl)triphenyl-, bromide
CAS7530-96-3
Molecular FormulaC29H36BrO2P
Molecular Weight527.472701
InChIInChI=1S/C29H35O2P.BrH/c30-29(31)24-16-5-3-1-2-4-6-17-25-32(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28;/h7-15,18-23H,1-6,16-17,24-25H2;1H
InChIKey WNFYJWNAWIJMEL-UHFFFAOYSA-N
Smiles[P+](CCCCCCCCCCC(O)=O)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[Br-]
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MassMS-IW-0636 (10-carboxydecyl)triphenylphosphonium bromide C29H36BrO2P (Mass of molecular ion: 526)
Source Temperature: 210 °C Sample Temperature: 230 °C Direct, 75 eV
17.0 1.3 18.0 6.9 27.0 1.6 28.0 2.5 29.0 1.8 39.0 2.7 41.0 5.5 42.0 1.4 43.0 4.3 44.0 1.9 51.0 3.8 54.0 1.2 55.0 8.4 56.0 2.2 57.0 3.9 60.0 6.9 61.0 1.1 63.0 1.0 65.0 1.4 67.0 2.0 68.0 1.9 69.0 5.4 70.0 1.7 71.0 2.8 73.0 7.5 74.0 1.1 77.0 4.1 78.0 2.3 79.0 2.7 80.0 8.6 81.0 3.2 82.0 8.5 83.0 4.5 84.0 2.6 85.0 1.8 87.0 1.8 91.0 2.0 95.0 1.6 96.0 1.8 97.0 2.3 98.0 2.7 101.0 1.1 107.0 13.0 108.0 43.7 109.0 3.9 115.0 3.8 124.0 1.1 128.0 1.3 129.0 2.4 131.0 1.7 133.0 2.8 139.0 1.6 141.0 1.2 143.0 1.1 151.0 1.3 152.0 11.9 153.0 2.9 154.0 2.2 157.0 4.9 170.0 2.4 181.0 1.4 183.0 79.0 184.0 23.5 185.0 10.0 186.0 2.4 199.0 6.5 200.0 1.3 201.0 2.9 261.0 23.7 262.0 100.0 263.0 19.6 264.0 1.9 277.0 20.6 278.0 7.1 279.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C29 H36 Br O2 P 0.034 g : 0.5 ml CDCl3 (10-carboxydecyl)triphenylphosphonium bromide 
Assign. Shift(ppm)
A 7.83 to 7.79 B 7.729 C 3.63 D 2.352 E 1.60 F 1.60 G 1.26 to 1.19
Hz ppm Int.3146.73 7.874 31 3146.36 7.873 30 3144.65 7.869 33 3144.17 7.868 34 3140.50 7.859 54 3132.69 7.839 624 3124.51 7.819 1000 3121.46 7.811 512 3120.12 7.808 583 3115.36 7.796 459 3112.79 7.789 736 3103.39 7.766 80 3102.29 7.763 76 3096.68 7.749 486 3093.26 7.740 566 3089.60 7.731 572 3088.26 7.728 494 3085.94 7.722 579 3081.79 7.712 258 3081.18 7.710 252 3078.25 7.703 231 1461.79 3.658 63 1461.43 3.657 63 1460.94 3.656 63 1460.57 3.655 63 1460.21 3.654 63 1455.44 3.642 93 1453.98 3.639 90 1453.00 3.636 91 1449.34 3.627 121 1449.10 3.626 121 1448.49 3.625 119 1445.43 3.617 102 1444.34 3.615 103 1440.55 3.605 79 1439.82 3.603 76 947.51 2.371 202 940.06 2.353 399 932.74 2.334 220 663.09 1.660 47 662.60 1.658 49 653.93 1.637 103 653.32 1.635 104 641.36 1.605 303 640.99 1.604 302 632.08 1.582 233 628.17 1.572 154 624.76 1.564 225 617.55 1.546 160 609.99 1.527 57 521.61 1.306 30 507.45 1.270 207 503.42 1.260 289 502.20 1.257 298 500.98 1.254 300 496.34 1.242 309 491.94 1.231 263 489.26 1.225 328 485.72 1.216 287 485.35 1.215 288 482.67 1.208 389 481.57 1.205 366 475.71 1.191 611 458.37 1.147 32
in CDCl3
KBr disc
nujol mull
