Product Name(BROMOMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE
CAS1034-49-7
Molecular FormulaC19H17Br2P
Molecular Weight436.12
InChIInChI=1S/C19H17BrP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1
InChIKey YFTMLUSIDVFTKU-UHFFFAOYSA-M
Smiles[P+](CBr)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Br-]
Mass
MS-NW-7000 (bromomethyl)triphenylphosphonium bromide C19H17Br2P (Mass of molecular ion: 434)
Source Temperature: 250 °C Sample Temperature: 280 °C Direct, 75 eV
15.0 1.7 39.0 2.6 50.0 2.0 51.0 7.1 57.0 3.0 63.0 1.9 65.0 1.8 77.0 3.7 78.0 1.3 79.0 5.1 80.0 10.9 81.0 4.9 82.0 10.6 83.0 1.4 89.0 1.0 91.0 1.5 93.0 1.6 94.0 5.4 95.0 1.3 96.0 5.2 107.0 15.0 108.0 34.7 109.0 3.4 115.0 3.9 128.0 1.4 131.0 1.9 133.0 3.4 139.0 1.8 141.0 1.7 152.0 8.4 153.0 2.1 154.0 2.2 157.0 4.2 165.0 1.2 170.0 3.0 181.0 1.5 183.0 70.4 184.0 15.0 185.0 13.3 186.0 1.9 259.0 1.1 260.0 1.4 261.0 17.5 262.0 100.0 263.0 20.3 264.0 2.3 275.0 8.8 276.0 3.5 277.0 2.5
400 MHz in D2O at 60.C
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C19 H17 Br2 P | 0.031 g : 0.5 ml D2O at 60 C |
(bromomethyl)triphenylphosphonium bromide |
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Assign. Shift(ppm) |
Hz ppm Int.
3200.44 8.009 214 3199.22 8.006 182 3198.36 8.003 223 3196.90 8.000 147 3194.82 7.995 162 3192.99 7.990 547 3192.02 7.988 348 3191.04 7.985 551 3189.33 7.981 214 3186.89 7.975 173 3185.30 7.971 354 3183.72 7.967 339 3182.13 7.963 173 3156.86 7.900 427 3155.76 7.897 543 3150.63 7.884 269 3148.56 7.879 945 3147.22 7.875 812 3144.17 7.868 363 3142.82 7.864 497 3141.24 7.860 263 3137.94 7.852 265 3135.74 7.847 1000 3134.28 7.843 869 3129.39 7.831 720 3127.44 7.826 317 3125.37 7.821 779 3121.95 7.812 801 3118.04 7.802 814 3115.72 7.797 326 3113.77 7.792 354 3111.57 7.786 206 3109.50 7.781 306 3108.52 7.779 333 3104.00 7.767 221 3096.56 7.749 155 1173.46 2.937 114 1159.55 2.902 114
1H NMR | 399.65 MHz |
C19 H17 Br2 P | 0.036 g : 0.5 ml DMSO-d6 |
(bromomethyl)triphenylphosphonium bromide |
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Assign. Shift(ppm) |
Hz ppm Int.
3192.02 7.988 215 3190.31 7.983 207 3188.72 7.979 132 3184.69 7.969 549 3182.86 7.965 555 3177.12 7.950 377 3175.78 7.947 392 3173.95 7.942 283 3171.26 7.936 593 3164.06 7.918 989 3162.60 7.914 710 3159.42 7.906 494 3158.45 7.904 558 3151.25 7.886 1000 3149.78 7.882 730 3138.67 7.854 662 3134.89 7.845 725 3130.98 7.835 805 3127.32 7.826 805 3123.05 7.815 373 3120.97 7.810 194 3119.14 7.805 376 3116.70 7.799 148 3114.01 7.792 33 3113.65 7.791 34 3112.55 7.789 30 3109.38 7.781 219 3104.86 7.769 154 2326.66 5.822 540 2319.70 5.805 533
in DMSO-d6
KBr disc
nujol mull
(BROMOMETHYL)TRIPHENYLPHOSPHONIUM BROMIDE(1034-49-7) 1H NMR Atlas of Related Products
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