2-METHYL-2-PENTENE(625-27-4) MS
Product Name2-METHYL-2-PENTENE
CAS625-27-4
Molecular FormulaC6H12
Molecular Weight84.16
InChIInChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3
InChIKey JMMZCWZIJXAGKW-UHFFFAOYSA-N
SmilesC/C(/C)=C\CC
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MassMS-NW-9061 2-methyl-2-pentene C6H12 (Mass of molecular ion: 84)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 11.6 28.0 2.3 29.0 8.7 38.0 1.7 39.0 19.3 40.0 4.2 41.0 100.0 42.0 15.9 43.0 7.9 50.0 1.6 51.0 2.5 52.0 1.0 53.0 7.2 54.0 2.1 55.0 25.9 56.0 15.3 57.0 1.0 65.0 1.3 67.0 6.2 68.0 1.6 69.0 99.8 70.0 5.6 83.0 1.3 84.0 42.6 85.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 0.05 ml : 0.5 ml CDCl3 2-methyl-2-pentene 
Assign. Shift(ppm)
A 5.113 B 1.972 C 1.68 D 1.60 E 0.932
Hz ppm Int.466.56 5.210 48 465.13 5.194 64 463.81 5.179 51 463.69 5.178 51 462.38 5.163 32 461.00 5.148 45 459.56 5.132 96 458.13 5.116 127 456.75 5.100 98 455.31 5.084 49 453.94 5.069 33 452.50 5.053 53 451.13 5.038 68 449.69 5.022 53 184.94 2.065 114 178.19 1.990 173 177.38 1.981 181 171.25 1.913 119 170.44 1.904 135 163.38 1.825 41 162.63 1.816 41 150.88 1.685 774 149.81 1.673 753 146.63 1.638 83 143.94 1.608 751 143.56 1.603 831 142.94 1.597 832 142.56 1.592 835 90.50 1.011 537 85.50 0.955 40 83.25 0.930 1000 82.81 0.925 728 81.25 0.908 132 77.81 0.869 32 75.69 0.846 368 75.00 0.838 219
in CDCl3
liquid film
