Product NameMethyltriphenylphosphonium bromide
CAS1779-49-3
Molecular FormulaC19H18BrP
Molecular Weight357.22
InChIInChI=1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
InChIKey LSEFCHWGJNHZNT-UHFFFAOYSA-M
Smiles[P+](C)(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1.[Br-]
Mass
MS-NW-7054 methyltriphenylphosphonium bromide C19H18BrP (Mass of molecular ion: 356)
Source Temperature: 240 °C Sample Temperature: 270 °C Direct, 75 eV
15.0 2.8 27.0 1.1 39.0 3.4 50.0 2.6 51.0 8.9 52.0 1.1 57.0 3.0 63.0 2.2 65.0 2.8 75.0 1.0 76.0 1.0 77.0 5.7 78.0 2.2 79.0 2.2 80.0 3.8 81.0 2.7 82.0 3.4 83.0 1.6 89.0 1.2 91.0 4.0 93.0 1.5 94.0 7.5 95.0 1.1 96.0 7.0 102.0 1.0 107.0 14.5 108.0 30.3 109.0 2.9 115.0 4.2 121.0 3.1 128.0 1.5 131.0 1.9 133.0 3.7 139.0 2.1 141.0 1.9 151.0 1.1 152.0 9.3 153.0 2.3 154.0 2.0 157.0 4.6 165.0 2.1 170.0 3.2 181.0 1.7 182.0 1.1 183.0 77.1 184.0 15.8 185.0 16.6 186.0 2.2 199.0 1.3 200.0 1.6 228.0 1.8 257.0 1.3 259.0 3.1 260.0 2.8 261.0 17.0 262.0 100.0 263.0 19.5 264.0 1.9 275.0 45.2 276.0 16.5 277.0 5.3 278.0 1.2
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C19 H18 Br P | 0.027 g : 0.5 ml CDCl3 |
methyltriphenylphosphonium bromide |
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Assign. Shift(ppm) |
Hz ppm Int.
3142.70 7.864 30 3142.33 7.863 31 3141.85 7.862 32 3141.24 7.860 34 3140.87 7.860 35 3139.04 7.855 39 3138.67 7.854 39 3133.42 7.841 125 3132.08 7.838 204 3131.47 7.836 186 3130.74 7.834 197 3129.88 7.832 225 3128.42 7.828 179 3126.83 7.824 185 3124.76 7.819 475 3122.68 7.814 555 3120.61 7.809 303 3118.90 7.805 512 3117.68 7.802 725 3116.21 7.798 588 3113.89 7.792 312 3112.79 7.789 307 3110.47 7.783 831 3109.01 7.780 623 3105.96 7.772 322 3104.49 7.769 466 3103.15 7.765 280 3099.85 7.757 258 3097.53 7.751 848 3095.95 7.747 718 3090.45 7.733 609 3088.26 7.728 396 3086.67 7.724 661 3083.13 7.715 609 3082.28 7.713 581 3079.59 7.706 585 3075.32 7.696 269 3074.46 7.693 213 3073.36 7.691 146 3071.78 7.687 211 3070.92 7.685 154 1321.29 3.307 32 1320.19 3.304 38 1318.97 3.301 47 1314.58 3.290 1000 1310.30 3.279 49 1309.08 3.276 43 1308.35 3.274 41 1307.86 3.273 41 1307.01 3.271 44 1306.64 3.270 43 1301.27 3.257 991
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
Methyltriphenylphosphonium bromide(1779-49-3) Raman Atlas of Related Products
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