Octyltrichlorosilane(5283-66-9) MS
Product NameOctyltrichlorosilane
CAS5283-66-9
Molecular FormulaC8H17Cl3Si
Molecular Weight247.66
InChIInChI=1S/C8H17Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
InChIKey RCHUVCPBWWSUMC-UHFFFAOYSA-N
SmilesC([Si](Cl)(Cl)Cl)CCCCCCC
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MassMS-NW-3330 trichlorooctylsilane C8H17Cl3Si (Mass of molecular ion: 246)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 8.8 28.0 2.1 29.0 14.7 39.0 6.8 40.0 1.3 41.0 24.9 42.0 11.8 43.0 100.0 44.0 3.2 53.0 1.5 54.0 1.3 55.0 13.4 56.0 12.4 57.0 48.7 58.0 2.4 63.0 2.0 65.0 1.0 69.0 4.1 70.0 4.3 71.0 25.9 72.0 1.6 84.0 2.1 85.0 40.4 86.0 2.9 98.0 1.4 99.0 1.7 100.0 1.1 101.0 1.1 117.0 1.1 125.0 1.5 127.0 1.1 133.0 14.9 135.0 15.0 137.0 5.0 139.0 2.9 141.0 2.2 153.0 2.8 155.0 1.8 161.0 5.3 163.0 5.0 165.0 1.7 167.0 2.2 169.0 1.3 174.0 1.7 175.0 13.0 176.0 3.0 177.0 13.4 178.0 1.8 179.0 4.8 189.0 4.6 190.0 1.1 191.0 4.1 193.0 1.4 203.0 3.7 204.0 1.0 205.0 3.4 207.0 1.3 217.0 2.2 219.0 2.3 246.0 1.2 248.0 1.2
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C8 H17 Cl3 Si 0.04 ml : 0.5 ml CDCl3 trichlorooctylsilane 
Assign. Shift(ppm)
A 1.76 to 1.08 B 0.89
Hz ppm Int.154.25 1.723 36 153.94 1.719 39 153.31 1.712 39 152.56 1.704 39 152.19 1.700 41 151.88 1.696 43 151.25 1.689 43 150.56 1.682 47 148.75 1.661 62 148.44 1.658 62 147.88 1.652 63 147.56 1.648 61 146.25 1.633 70 145.88 1.629 70 145.38 1.624 73 144.50 1.614 77 143.44 1.602 85 141.25 1.578 113 134.94 1.507 252 129.63 1.448 496 127.06 1.419 372 126.75 1.416 368 125.63 1.403 367 115.88 1.294 997 115.19 1.287 1000 104.19 1.164 39 103.00 1.151 37 102.44 1.144 36 102.06 1.140 36 84.63 0.945 167 79.31 0.886 549 73.25 0.818 114
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1H NMR 399.65 MHz C8 H17 Cl3 Si 0.05 ml : 0.5 ml CDCl3 trichlorooctylsilane Assign. Shift(ppm)
A 1.58 B 1.48 to 1.360 C 1.36 to 1.210 D 0.89
Hz ppm Int.648.68 1.624 51 647.09 1.620 50 643.31 1.610 61 641.60 1.606 127 639.04 1.599 104 636.96 1.594 95 634.89 1.589 136 633.30 1.585 191 632.45 1.583 180 630.00 1.577 101 628.66 1.574 110 627.32 1.570 136 625.37 1.565 199 622.19 1.557 121 620.48 1.553 61 617.68 1.546 105 616.46 1.543 100 584.72 1.464 31 576.54 1.443 78 576.05 1.442 79 574.71 1.439 82 569.21 1.425 179 564.94 1.414 606 562.01 1.407 271 559.69 1.401 333 556.88 1.394 348 555.79 1.391 380 548.83 1.374 288 548.22 1.372 292 544.19 1.362 64 543.58 1.361 64 530.52 1.328 215 523.68 1.311 381 518.68 1.298 545 517.21 1.295 569 515.14 1.289 655 512.94 1.284 728 365.72 0.916 60 361.33 0.905 342 354.61 0.888 1000 347.53 0.870 379
liquid film
