2-METHYL-1-OCTENE(4588-18-5) MS
Product Name2-METHYL-1-OCTENE
CAS4588-18-5
Molecular FormulaC9H18
Molecular Weight126.24
InChIInChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h2,4-8H2,1,3H3
InChIKey FBEDQPGLIKZGIN-UHFFFAOYSA-N
SmilesC=C(C)CCCCCC
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MassMS-NW-3492 2-methyl-1-octene C9H18 (Mass of molecular ion: 126)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 10.1 28.0 1.6 29.0 13.1 39.0 11.4 40.0 2.8 41.0 31.0 42.0 11.1 43.0 20.5 51.0 1.1 53.0 4.6 54.0 2.0 55.0 27.4 56.0 100.0 57.0 21.4 58.0 1.9 67.0 3.3 68.0 3.1 69.0 24.8 70.0 9.9 71.0 2.1 83.0 3.4 84.0 3.1 85.0 1.1 98.0 2.4 111.0 2.8 126.0 8.3
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C9 H18 0.04 ml : 0.5 ml CDCl3 2-methyl-1-octene 
Assign. Shift(ppm)
A 4.68 to 4.65 B 2.00 C 1.70 D 1.62 to 1.06 E 0.89
Hz ppm Int.421.25 4.704 58 419.13 4.680 331 418.25 4.671 435 417.81 4.666 387 417.25 4.659 433 416.25 4.648 255 413.69 4.620 45 186.00 2.077 61 184.88 2.065 58 184.19 2.057 58 183.88 2.054 59 179.13 2.001 155 175.25 1.957 69 172.50 1.927 121 172.38 1.925 121 153.88 1.719 578 152.88 1.708 1000 152.56 1.704 984 152.00 1.698 694 151.56 1.693 750 141.63 1.582 39 141.13 1.576 40 140.81 1.573 41 139.69 1.560 33 139.38 1.557 33 139.06 1.553 33 138.19 1.543 35 137.75 1.539 37 137.25 1.533 38 134.38 1.501 74 132.56 1.481 74 129.38 1.445 99 129.06 1.442 100 126.88 1.417 124 123.13 1.375 179 122.31 1.366 191 116.25 1.299 761 104.25 1.165 69 100.94 1.128 36 90.13 1.007 39 89.69 1.002 40 86.63 0.968 110 84.69 0.946 171 82.50 0.922 134 79.44 0.888 579 73.38 0.820 120 72.13 0.806 93 69.31 0.774 40
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1H NMR 399.65 MHz C9 H18 0.04 ml : 0.5 ml CDCl3 2-methyl-1-octene Assign. Shift(ppm)
A *1 4.68 B *1 4.66 C 1.999 D 1.707 E 1.42 F 1.37 to 1.240 G 0.888
Hz ppm Int.1875.00 4.692 71 1874.27 4.690 109 1873.54 4.688 160 1872.80 4.687 185 1872.07 4.685 222 1871.22 4.683 255 1870.48 4.681 238 1869.75 4.679 228 1869.02 4.677 161 1868.29 4.675 102 1865.97 4.670 64 1865.11 4.667 132 1863.89 4.664 249 1862.92 4.662 272 1861.69 4.659 225 1860.60 4.656 181 1859.25 4.653 91 806.64 2.019 181 799.32 2.001 267 791.50 1.981 197 694.21 1.738 38 693.24 1.735 41 692.75 1.734 42 691.53 1.731 39 691.04 1.730 39 683.47 1.711 790 682.62 1.709 989 682.13 1.707 1000 681.64 1.706 874 681.15 1.705 882 582.03 1.457 47 579.59 1.451 51 575.07 1.439 110 574.10 1.437 111 572.63 1.433 102 568.24 1.422 153 567.38 1.420 151 566.53 1.418 142 564.70 1.413 113 562.99 1.409 97 561.77 1.406 106 559.94 1.402 128 559.08 1.399 107 555.30 1.390 54 552.98 1.384 63 543.82 1.361 32 541.99 1.357 34 541.02 1.354 36 539.06 1.349 50 538.57 1.348 50 532.59 1.333 99 531.86 1.331 100 525.63 1.316 196 524.90 1.314 193 520.51 1.303 313 518.19 1.297 358 513.55 1.285 623 511.11 1.279 731 508.79 1.274 294 507.45 1.270 227 504.03 1.262 123 361.57 0.905 301 358.52 0.898 198 354.86 0.888 943 349.37 0.875 134 347.90 0.871 338
in CDCl3
liquid film
