CYCLOPROPYLTRIPHENYLPHOSPHONIUM BROMIDE(14114-05-7) 13C NMR
Product NameCYCLOPROPYLTRIPHENYLPHOSPHONIUM BROMIDE
CAS14114-05-7
Molecular FormulaC21H20BrP
Molecular Weight383.26
InChIInChI=1S/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
InChIKey XMPWFKHMCNRJCL-UHFFFAOYSA-M
Smiles[P+](C1C=CC=CC=1)(C1=CC=CC=C1)(C1C=CC=CC=1)C1CC1.[Br-]
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MassMS-NW-7133 cyclopropyltriphenylphosphonium bromide C21H20BrP (Mass of molecular ion: 382)
Source Temperature: 230 °C Sample Temperature: 310 °C Direct, 75 eV
15.0 1.3 18.0 2.0 26.0 1.2 27.0 3.9 28.0 2.7 37.0 1.5 38.0 3.0 39.0 18.8 40.0 3.3 41.0 23.1 42.0 2.3 50.0 4.2 51.0 13.1 52.0 2.4 53.0 1.0 56.0 1.4 57.0 5.3 63.0 3.3 65.0 4.2 67.0 2.2 69.0 1.5 74.0 1.5 75.0 1.5 76.0 2.0 77.0 7.4 78.0 6.8 79.0 4.6 80.0 11.6 81.0 4.6 82.0 12.1 83.0 2.4 89.0 1.7 91.0 7.0 102.0 1.5 105.0 1.3 107.0 20.9 108.0 57.2 109.0 7.3 115.0 9.2 116.0 4.1 117.0 7.5 118.0 1.0 120.0 2.2 121.0 1.0 122.0 1.7 126.0 1.0 128.0 2.2 131.0 2.9 133.0 7.1 134.0 1.1 135.0 1.1 139.0 2.1 141.0 2.2 147.0 1.2 151.0 1.4 152.0 11.4 153.0 3.4 154.0 4.2 157.0 5.3 165.0 1.9 170.0 3.4 178.0 1.5 181.0 1.9 182.0 1.1 183.0 85.5 184.0 20.2 185.0 18.4 186.0 3.6 187.0 1.2 200.0 1.3 225.0 4.8 226.0 8.6 227.0 1.7 228.0 1.1 230.0 1.2 257.0 1.3 259.0 2.6 260.0 2.4 261.0 17.6 262.0 100.0 263.0 19.4 264.0 2.0 301.0 4.2 302.0 5.2 303.0 5.0 304.0 1.2 338.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H20 Br P 0.041 g : 0.5 ml CDCl3 cyclopropyltriphenylphosphonium bromide 
Assign. Shift(ppm)
A 7.84 B 7.82 C 7.726 D 3.284 E 1.818 F 0.634
Hz ppm Int.3141.11 7.860 94 3139.89 7.857 208 3139.28 7.856 185 3138.55 7.854 219 3137.94 7.852 256 3136.47 7.849 229 3135.50 7.846 496 3134.16 7.843 662 3132.57 7.839 893 3130.49 7.834 602 3129.15 7.830 411 3128.54 7.829 402 3126.22 7.823 1000 3125.24 7.820 900 3123.05 7.815 689 3121.70 7.812 793 3116.70 7.799 236 3114.50 7.794 895 3113.04 7.790 715 3097.29 7.751 649 3093.75 7.742 713 3090.70 7.734 574 3089.97 7.732 636 3086.91 7.725 607 3086.30 7.723 707 3085.45 7.721 640 3083.74 7.717 238 3082.03 7.712 352 3081.30 7.710 262 3080.08 7.707 187 3078.49 7.703 319 3077.76 7.702 231 1325.44 3.317 46 1322.63 3.310 63 1319.70 3.303 35 1316.89 3.296 133 1314.09 3.289 74 1311.16 3.281 77 1308.35 3.274 135 1305.54 3.267 35 1302.49 3.260 69 1299.68 3.253 50 742.19 1.858 38 741.82 1.857 38 736.94 1.844 127 735.35 1.840 131 732.54 1.833 74 731.81 1.832 67 726.81 1.819 252 725.59 1.816 183 722.17 1.808 67 721.31 1.805 72 720.83 1.804 73 718.38 1.798 124 716.80 1.794 135 711.43 1.781 40 270.39 0.677 47 265.50 0.665 146 264.16 0.661 156 259.64 0.650 148 258.30 0.647 150 253.54 0.635 86 248.66 0.623 144 247.31 0.619 160 242.92 0.608 143 241.46 0.605 150 236.69 0.593 39
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
