2,4-DIMETHYL-1-HEPTENE(19549-87-2) MS
Product Name2,4-DIMETHYL-1-HEPTENE
CAS19549-87-2
Molecular FormulaC9H18
Molecular Weight126.24
InChIInChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKey CZGAOHSMVSIJJZ-UHFFFAOYSA-N
SmilesC=C(C)CC(C)CCC
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MassMS-NW-3198 2,4-dimethyl-1-heptene C9H18 (Mass of molecular ion: 126)
Source Temperature: 300 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 11.5 29.0 16.4 39.0 13.4 40.0 2.8 41.0 31.2 42.0 13.1 43.0 100.0 44.0 3.3 51.0 1.2 53.0 4.7 54.0 1.4 55.0 44.7 56.0 31.0 57.0 32.5 58.0 1.4 67.0 3.8 68.0 10.8 69.0 16.1 70.0 72.0 71.0 20.7 72.0 1.0 81.0 1.0 83.0 19.1 84.0 4.7 85.0 1.0 95.0 1.1 109.0 1.2 111.0 1.2 126.0 7.9
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C9 H18 0.05 ml : 0.5 ml CDCl3 2,4-dimethyl-1-heptene 
Assign. Shift(ppm)
A *1 4.723 B *1 4.644 C *2 2.012 D *2 1.791 E 1.680 F 1.614 G *3 1.38 J 1.28 K *3 1.07 L 0.886 M 0.829 J(D,C)=13.5HZ. J(F,D)=8.3HZ. J(C,F)=6.2HZ.
Hz ppm Int.1889.40 4.728 150 1888.31 4.725 192 1887.21 4.723 202 1885.99 4.720 165 1857.30 4.648 180 1856.32 4.645 205 1855.35 4.643 193 814.82 2.039 77 808.59 2.024 83 801.27 2.005 100 795.17 1.990 103 726.56 1.818 108 725.83 1.817 114 718.26 1.798 130 717.41 1.796 135 713.13 1.785 80 712.28 1.783 83 704.83 1.764 103 703.98 1.762 107 671.39 1.680 880 661.62 1.656 31 659.91 1.652 41 658.33 1.648 37 657.10 1.645 31 655.15 1.640 41 653.44 1.636 53 651.86 1.632 53 650.39 1.628 35 648.68 1.624 50 646.97 1.619 66 645.39 1.615 68 643.68 1.611 43 642.21 1.607 47 640.50 1.603 69 638.92 1.599 74 637.70 1.596 51 634.16 1.587 46 632.45 1.583 44 557.74 1.396 45 555.30 1.390 49 552.61 1.383 59 550.42 1.378 66 547.97 1.372 51 545.53 1.366 77 543.33 1.360 60 541.02 1.354 39 538.33 1.348 50 536.01 1.342 70 535.16 1.340 55 529.05 1.324 54 527.22 1.320 89 525.15 1.315 46 523.93 1.311 36 521.97 1.307 161 520.14 1.302 68 518.31 1.297 42 516.97 1.294 81 514.89 1.289 138 513.18 1.285 128 510.99 1.279 102 509.64 1.276 116 508.30 1.272 117 507.32 1.270 98 505.37 1.265 104 503.05 1.259 98 500.49 1.253 38 498.17 1.247 92 496.34 1.242 59 492.68 1.233 43 491.82 1.231 41 443.85 1.111 42 442.75 1.108 41 437.99 1.096 39 435.42 1.090 82 432.37 1.082 65 431.27 1.080 51 430.18 1.077 64 427.49 1.070 84 424.32 1.062 61 422.24 1.057 60 419.56 1.050 48 367.68 0.921 32 367.07 0.919 32 363.53 0.910 78 361.08 0.904 473 354.13 0.887 795 349.73 0.876 107 348.63 0.873 113 346.80 0.868 404 342.53 0.858 54 341.55 0.855 46 334.47 0.837 1000 327.88 0.821 936
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1H NMR 89.56 MHz C9 H18 0.05 ml : 0.5 ml CDCl3 2,4-dimethyl-1-heptene Assign. Shift(ppm)
A *1 4.72 B *1 4.65 C *2 2.00 D *2 1.78 E 1.683 F 1.74 to 0.96 G 0.89 J 0.83
Hz ppm Int.424.81 4.744 97 423.50 4.729 145 422.44 4.717 187 421.13 4.703 164 421.00 4.701 164 419.56 4.685 75 418.19 4.670 115 417.25 4.659 187 416.31 4.649 200 413.81 4.621 104 186.69 2.085 36 186.38 2.082 38 186.06 2.078 38 179.31 2.003 91 173.63 1.939 78 169.94 1.898 129 169.06 1.888 120 162.56 1.816 183 161.88 1.808 175 151.44 1.691 742 150.56 1.682 1000 149.56 1.670 745 143.69 1.605 56 142.19 1.588 64 141.50 1.580 59 139.75 1.561 52 139.38 1.557 51 139.19 1.555 51 138.44 1.546 55 137.69 1.538 50 137.13 1.532 51 136.25 1.522 55 133.88 1.495 46 132.56 1.481 32 132.19 1.476 32 130.19 1.454 45 128.50 1.435 58 127.56 1.425 59 126.13 1.409 60 124.94 1.396 66 123.38 1.378 123 121.63 1.359 107 120.50 1.346 84 118.94 1.329 96 118.56 1.324 96 116.31 1.299 181 115.25 1.287 129 112.44 1.256 187 110.31 1.232 187 109.44 1.222 165 108.13 1.208 161 105.44 1.178 110 103.50 1.156 111 102.19 1.142 73 100.13 1.119 52 99.31 1.109 56 97.69 1.091 58 96.38 1.077 61 96.13 1.074 61 94.75 1.058 65 93.88 1.049 55 92.31 1.031 50 90.06 1.006 57 89.13 0.996 50 85.50 0.955 276 83.13 0.929 124 81.63 0.912 169 79.44 0.888 511 77.31 0.864 810 75.00 0.838 188 74.63 0.834 189 73.25 0.818 240 71.19 0.795 671
in CDCl3
liquid film
