2,6-DIMETHYL-1-HEPTENE(3074-78-0) 1H NMR
Product Name2,6-DIMETHYL-1-HEPTENE
CAS3074-78-0
Molecular FormulaC9H18
Molecular Weight126.24
InChIInChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKey JUUMAEXLYIMEOD-UHFFFAOYSA-N
SmilesC=C(C)CCCC(C)C
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MassMS-NW-3489 2,6-dimethyl-1-heptene C9H18 (Mass of molecular ion: 126)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 10.1 29.0 11.9 39.0 12.3 40.0 2.9 41.0 35.9 42.0 9.4 43.0 31.7 44.0 1.1 51.0 1.2 53.0 4.5 54.0 1.9 55.0 44.3 56.0 100.0 57.0 18.5 67.0 3.8 68.0 2.8 69.0 34.0 70.0 26.5 71.0 3.2 83.0 6.4 84.0 2.4 98.0 1.8 111.0 2.1 126.0 12.3 127.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H18 0.04 ml : 0.5 ml CDCl3 2,6-dimethyl-1-heptene 
Assign. Shift(ppm)
A 4.71 to 4.64 B 1.98 C 1.707 D 1.81 to 0.97 E 0.883
Hz ppm Int.419.56 4.685 170 418.63 4.675 205 418.19 4.670 184 417.63 4.664 203 416.63 4.652 105 415.44 4.639 38 185.13 2.068 33 178.50 1.994 85 171.19 1.912 80 154.06 1.721 324 153.13 1.710 513 152.75 1.706 467 152.25 1.700 325 151.75 1.695 330 142.31 1.589 34 140.69 1.571 37 139.38 1.557 47 138.00 1.541 34 137.00 1.530 60 135.50 1.513 47 133.19 1.488 50 132.50 1.480 53 131.88 1.473 54 130.69 1.460 51 128.94 1.440 67 126.38 1.412 71 124.44 1.390 50 123.81 1.383 37 123.69 1.382 37 122.81 1.372 51 120.19 1.343 89 119.38 1.333 72 118.56 1.324 50 117.81 1.316 32 116.94 1.306 37 114.94 1.284 94 114.00 1.273 96 112.56 1.257 96 111.44 1.245 47 110.25 1.232 58 109.38 1.222 37 108.94 1.217 39 106.88 1.194 92 104.94 1.172 34 103.88 1.160 53 102.50 1.145 33 100.25 1.120 50 97.63 1.091 33 81.50 0.911 1000 75.50 0.844 680
in CDCl3
liquid film
