4-METHYL-1,3-PENTADIENE(926-56-7) IR1
Product Name4-METHYL-1,3-PENTADIENE
CAS926-56-7
Molecular FormulaC6H10
Molecular Weight82.14
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3
InChIKey CJSBUWDGPXGFGA-UHFFFAOYSA-N
SmilesC=C/C=C(/C)\C
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MassMS-NW-3322 4-methyl-1,3-pentadiene C6H10 (Mass of molecular ion: 82)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.0 26.0 1.1 27.0 10.6 28.0 1.2 29.0 3.5 37.0 1.6 38.0 3.6 39.0 30.4 40.0 7.9 41.0 41.7 42.0 7.7 43.0 2.6 50.0 3.1 51.0 5.0 52.0 2.6 53.0 12.6 54.0 14.0 55.0 5.1 56.0 2.3 62.0 1.2 63.0 2.2 65.0 10.2 66.0 3.6 67.0 100.0 68.0 5.8 77.0 3.0 79.0 7.6 80.0 1.4 81.0 12.9 82.0 51.7 83.0 3.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 0.04 ml : 0.5 ml CDCl3 4-methyl-1,3-pentadiene 
Assign. Shift(ppm)
A 6.54 B 5.85 C 5.06 D 4.95 E 1.77
Hz ppm Int.606.94 6.777 37 596.50 6.661 62 596.13 6.657 64 590.19 6.590 49 586.06 6.544 60 579.38 6.470 79 569.31 6.357 78 531.13 5.931 35 530.44 5.923 66 529.75 5.916 88 529.06 5.908 109 528.38 5.900 121 527.63 5.892 114 527.00 5.885 93 526.25 5.876 76 525.56 5.869 42 519.56 5.802 46 518.94 5.795 57 518.19 5.786 83 517.56 5.779 78 516.81 5.771 91 516.19 5.764 62 515.44 5.756 59 514.75 5.748 30 463.19 5.172 42 462.56 5.165 60 462.06 5.160 72 461.38 5.152 66 460.94 5.147 81 460.31 5.140 94 459.81 5.135 93 459.19 5.128 65 449.94 5.024 64 449.19 5.016 89 448.69 5.010 94 447.94 5.002 75 447.00 4.992 78 446.44 4.985 99 445.75 4.978 90 445.31 4.973 67 444.63 4.965 55 444.19 4.960 61 443.56 4.953 71 443.13 4.948 76 442.44 4.941 50 439.88 4.912 55 439.19 4.904 75 438.56 4.897 80 437.88 4.890 65 436.94 4.879 59 436.38 4.873 58 435.69 4.865 38 159.75 1.784 485 158.38 1.769 1000 157.94 1.764 947 157.00 1.754 709
in CDCl3
liquid film
4880 A,200 M,liquid
