Product Name(3-BROMOPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE
CAS3607-17-8
Molecular FormulaC21H21Br2P
Molecular Weight464.17
InChIInChI=1S/C21H21BrP.BrH/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H/q+1;/p-1
InChIKey ZAHUZZUGJRPGKW-UHFFFAOYSA-M
Smiles[P+](CCCBr)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Br-]
Mass
MS-NW-7449 (3-bromopropyl)triphenylphosphonium bromide C21H21Br2P (Mass of molecular ion: 462)
Source Temperature: 240 °C Sample Temperature: 260 °C Direct, 75 eV
18.0 2.2 27.0 2.0 28.0 1.0 38.0 1.0 39.0 7.9 40.0 1.3 41.0 8.5 50.0 2.2 51.0 7.6 52.0 1.5 53.0 1.5 57.0 3.1 63.0 2.0 65.0 2.6 67.0 1.4 77.0 4.7 78.0 2.3 79.0 3.2 80.0 7.8 81.0 2.9 82.0 7.9 83.0 1.5 91.0 3.2 105.0 3.8 107.0 14.4 108.0 40.2 109.0 3.7 115.0 4.1 116.0 1.0 120.0 1.7 128.0 1.6 131.0 2.3 133.0 3.1 139.0 1.5 141.0 1.6 152.0 7.7 153.0 2.0 154.0 2.3 157.0 3.7 170.0 2.7 181.0 1.3 183.0 66.7 184.0 14.8 185.0 11.5 186.0 1.7 261.0 17.3 262.0 100.0 263.0 19.7 264.0 2.0 301.0 1.2 302.0 1.1
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C21 H21 Br2 P | 0.040 g : 0.5 ml CDCl3 |
(3-bromopropyl)triphenylphosphonium bromide |
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Assign. Shift(ppm) |
Hz ppm Int.
3151.37 7.886 444 3150.27 7.883 575 3145.14 7.870 197 3143.19 7.865 788 3141.72 7.862 733 3140.14 7.858 283 3137.94 7.852 853 3135.99 7.847 304 3134.64 7.844 205 3131.59 7.836 810 3130.13 7.833 1000 3126.22 7.823 259 3125.00 7.820 362 3124.02 7.817 376 3121.70 7.812 134 3099.98 7.757 561 3098.51 7.754 329 3097.05 7.750 523 3096.56 7.749 506 3092.29 7.738 771 3090.33 7.733 506 3089.36 7.731 651 3087.89 7.727 401 3084.84 7.719 316 3083.98 7.717 238 3083.01 7.715 210 3081.30 7.710 279 1639.16 4.102 112 1635.74 4.093 55 1634.40 4.090 60 1630.62 4.081 90 1625.98 4.069 163 1622.80 4.061 167 1617.80 4.049 91 1614.26 4.040 64 1613.28 4.037 57 1613.04 4.037 57 1609.74 4.028 118 1547.12 3.872 168 1545.78 3.868 172 1540.89 3.856 332 1539.67 3.853 328 1534.79 3.841 182 1533.45 3.837 173 911.87 2.282 31 905.52 2.266 83 904.79 2.264 80 902.59 2.259 63 902.22 2.258 62 898.32 2.248 131 896.61 2.244 111 895.51 2.241 108 892.82 2.235 106 891.97 2.232 106 891.11 2.230 109 889.40 2.226 130 885.50 2.216 61 882.32 2.208 81 876.10 2.193 31
in CDCl3
KBr disc
nujol mull
(3-BROMOPROPYL)TRIPHENYLPHOSPHONIUM BROMIDE(3607-17-8) 13C NMR Atlas of Related Products
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