Tetrabutylphosphonium chloride(2304-30-5) MS
Product NameTetrabutylphosphonium chloride
CAS2304-30-5
Molecular FormulaC16H36ClP
Molecular Weight294.88
InChIInChI=1S/C16H36P.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey IBWGNZVCJVLSHB-UHFFFAOYSA-M
Smiles[P+](CCCC)(CCCC)(CCCC)CCCC.[Cl-]
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MassMS-IW-9005 tetrabutylphosphonium chloride C16H36ClP (Mass of molecular ion: 294)
Source Temperature: 200 °C Sample Temperature: 230 °C Direct, 75 eV
18.0 2.0 25.0 1.1 26.0 8.0 27.0 22.0 28.0 21.6 29.0 34.9 35.0 4.2 36.0 35.6 37.0 2.2 38.0 12.9 39.0 19.7 40.0 3.4 41.0 55.4 42.0 5.6 43.0 9.6 44.0 1.3 45.0 6.1 46.0 1.5 47.0 6.0 48.0 7.3 49.0 2.8 50.0 3.0 51.0 3.0 52.0 1.6 53.0 8.0 54.0 7.9 55.0 39.9 56.0 13.7 57.0 14.8 58.0 3.7 59.0 13.1 60.0 4.9 61.0 37.0 62.0 65.3 63.0 3.5 67.0 2.3 68.0 1.3 69.0 9.3 71.0 6.0 72.0 1.4 73.0 10.1 74.0 10.0 75.0 11.1 76.0 96.2 77.0 4.2 78.0 1.3 79.0 1.0 81.0 1.4 83.0 4.3 85.0 3.7 86.0 2.1 87.0 8.6 88.0 13.9 89.0 29.9 90.0 17.9 91.0 3.1 92.0 1.2 96.0 1.3 97.0 1.7 99.0 1.3 100.0 1.5 101.0 4.5 102.0 10.5 103.0 22.9 104.0 37.3 105.0 4.0 113.0 1.0 114.0 1.1 115.0 5.7 116.0 6.8 117.0 10.2 118.0 40.7 119.0 3.1 129.0 3.7 130.0 3.7 131.0 18.8 132.0 6.2 143.0 3.3 144.0 3.2 145.0 30.8 146.0 26.5 147.0 4.0 157.0 2.5 158.0 1.6 159.0 4.5 160.0 17.5 161.0 2.1 171.0 4.2 172.0 1.2 173.0 33.6 174.0 5.9 185.0 1.4 187.0 7.7 188.0 1.1 199.0 3.0 200.0 1.7 201.0 62.5 202.0 30.5 203.0 4.9 213.0 1.1 215.0 1.7 227.0 3.7 229.0 100.0 230.0 15.9 231.0 1.4 243.0 2.4 243.5 2.3 257.0 22.2 258.0 17.7 259.0 91.4 260.0 16.0 261.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C16 H36 Cl P 0.05 ml : 0.5 ml DMSO-d6 tetrabutylphosphonium chloride 
Assign. Shift(ppm)
A 2.266 B 1.47 C 1.42 D 0.920
Hz ppm Int.921.75 2.307 96 914.67 2.289 103 911.38 2.281 94 908.20 2.273 152 905.64 2.267 166 903.08 2.260 105 900.88 2.255 106 891.85 2.232 124 603.64 1.511 76 601.44 1.505 72 595.95 1.492 129 594.12 1.487 129 587.04 1.469 150 580.44 1.453 171 577.03 1.444 149 574.34 1.438 207 567.38 1.420 219 560.42 1.403 181 553.10 1.384 94 546.51 1.368 31 374.39 0.937 524 367.43 0.920 1000 360.11 0.902 395
in DMSO-d6
liquid film
