VINYLTRIPHENYLPHOSPHONIUM BROMIDE(5044-52-0) IR2
Product NameVINYLTRIPHENYLPHOSPHONIUM BROMIDE
CAS5044-52-0
Molecular FormulaC20H18BrP
Molecular Weight369.24
InChIInChI=1S/C20H18P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h2-17H,1H2;1H/q+1;/p-1
InChIKey VRAYVWUMBAJVGH-UHFFFAOYSA-M
Smiles[P+](C=C)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Br-]
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MassMS-IW-1586 triphenylvinylphosphonium bromide C20H18BrP (Mass of molecular ion: 368)
Source Temperature: 230 °C Sample Temperature: 240 °C Direct, 75 eV
39.0 1.4 51.0 3.5 57.0 1.7 63.0 1.0 65.0 1.1 77.0 1.9 78.0 1.3 79.0 2.6 80.0 7.4 81.0 2.7 82.0 7.2 107.0 11.4 108.0 35.1 109.0 2.9 115.0 2.7 128.0 1.1 131.0 2.1 133.0 2.5 139.0 1.2 141.0 1.1 152.0 7.0 153.0 1.7 154.0 1.7 157.0 3.4 170.0 2.2 181.0 1.1 183.0 63.9 184.0 15.6 185.0 10.1 186.0 1.4 261.0 18.7 262.0 100.0 263.0 19.4 264.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H18 Br P 0.040 g : 0.5 ml CDCl3 triphenylvinylphosphonium bromide 
Assign. Shift(ppm)
A 8.076 B 7.873 C 7.76 D 7.70 E 7.208 F 6.206
Hz ppm Int.3255.74 8.147 134 3243.29 8.116 155 3237.79 8.102 156 3231.08 8.085 135 3225.46 8.071 149 3218.63 8.054 162 3213.13 8.040 157 3200.68 8.009 152 3156.74 7.899 215 3154.91 7.895 227 3153.56 7.891 139 3151.61 7.886 172 3149.54 7.881 521 3147.46 7.876 564 3145.63 7.871 184 3143.68 7.867 222 3142.21 7.863 384 3141.36 7.861 288 3140.63 7.859 296 3140.01 7.857 383 3138.67 7.854 199 3111.82 7.787 418 3108.03 7.777 499 3106.20 7.773 318 3105.22 7.770 408 3103.64 7.766 874 3101.44 7.761 445 3099.85 7.757 881 3098.39 7.753 424 3096.07 7.747 728 3092.29 7.738 626 3090.33 7.733 281 3088.87 7.729 842 3087.52 7.726 1000 3086.55 7.724 482 3085.57 7.721 283 3080.44 7.708 565 3078.98 7.705 442 3075.81 7.697 787 3075.20 7.695 733 3074.58 7.694 900 3073.61 7.691 438 3067.38 7.676 612 3066.04 7.672 471 2911.62 7.286 291 2899.17 7.255 272 2861.82 7.161 286 2849.49 7.130 270 2501.59 6.260 279 2483.64 6.215 271 2476.68 6.198 282 2458.74 6.153 268
in CDCl3
KBr disc
nujol mull
