(4-CHLOROBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE(1530-39-8) MS
Product Name(4-CHLOROBENZYL)TRIPHENYLPHOSPHONIUM CHLORIDE
CAS1530-39-8
Molecular FormulaC25H21Cl2P
Molecular Weight423.31
InChIInChI=1S/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChIKey RAHOAHBOOHXRDY-UHFFFAOYSA-M
Smiles[P+](CC1=CC=C(Cl)C=C1)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cl-]
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MassMS-KW-0426 4-chlorobenzyltriphenylphosphonium chloride C25H21Cl2P (Mass of molecular ion: 422)
Source Temperature: 200 °C Sample Temperature: 210 °C Direct, 75 eV
18.0 3.7 26.0 1.4 28.0 17.9 35.0 2.0 36.0 20.4 38.0 6.8 39.0 3.9 50.0 2.6 51.0 7.5 52.0 1.5 57.0 2.8 62.0 2.0 63.0 3.8 65.0 2.5 74.0 1.4 75.0 2.7 76.0 1.9 77.0 4.9 78.0 5.4 81.0 2.3 83.0 1.5 88.0 4.3 88.5 1.3 89.0 4.7 90.0 1.2 91.0 6.4 92.0 1.0 93.0 1.2 99.0 1.5 101.0 1.3 102.0 1.2 106.0 2.6 107.0 16.0 108.0 44.6 109.0 4.2 115.0 4.1 125.0 11.6 126.0 3.2 127.0 4.5 128.0 2.2 131.0 3.1 133.0 3.4 139.0 2.4 141.0 1.6 151.0 2.1 152.0 11.0 153.0 2.5 154.0 2.3 157.0 4.6 165.0 10.5 166.0 8.0 167.0 1.9 170.0 3.2 176.0 2.8 177.0 3.3 178.0 13.4 179.0 2.5 181.0 1.8 182.0 1.3 183.0 80.4 184.0 18.7 185.0 13.5 186.0 2.1 194.0 1.0 196.0 2.5 199.0 1.4 201.0 8.9 202.0 1.6 203.0 3.0 212.0 2.6 213.0 1.8 214.0 1.1 215.0 1.0 228.0 1.0 248.0 9.3 249.0 1.5 250.0 6.0 251.0 1.0 252.0 1.2 257.0 1.0 259.0 1.6 260.0 3.1 261.0 18.9 262.0 100.0 263.0 19.4 264.0 2.0 277.0 2.0 309.0 1.5 385.0 11.3 386.0 11.1 387.0 6.5 388.0 3.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C25H21Cl2P 0.041 g : 0.5 ml CDCl3 4-chlorobenzyltriphenylphosphonium chloride 
Assign. Shift(ppm)
A 7.79 B 7.74 C 7.602 D 7.144 E 7.020 F 5.684
Hz ppm Int.3124.88 7.817 596 3123.78 7.814 745 3116.46 7.796 897 3115.24 7.793 822 3112.31 7.785 600 3111.09 7.782 767 3103.89 7.764 1000 3102.67 7.761 989 3095.95 7.745 613 3094.00 7.740 574 3089.60 7.729 247 3088.38 7.726 383 3087.65 7.724 357 3086.43 7.721 351 3047.49 7.623 649 3045.78 7.619 393 3043.95 7.615 681 3039.43 7.603 894 3035.89 7.594 850 3031.99 7.585 429 3030.28 7.580 251 3028.45 7.576 393 2861.94 7.159 318 2859.38 7.153 329 2853.28 7.138 445 2850.71 7.131 419 2810.19 7.030 555 2809.33 7.028 579 2801.64 7.008 428 2800.66 7.006 377 2279.42 5.702 481 2264.53 5.665 474
in CDCl3
