4-Methyl-1-pentene(691-37-2) Raman
Product Name4-Methyl-1-pentene
CAS691-37-2
Molecular FormulaC6H12
Molecular Weight84.16
InChIInChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3
InChIKey WSSSPWUEQFSQQG-UHFFFAOYSA-N
SmilesC=CCC(C)C
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MassMS-NW-1328 4-methyl-1-pentene C6H12 (Mass of molecular ion: 84)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.5 26.0 1.1 27.0 20.8 28.0 1.2 29.0 4.2 38.0 2.0 39.0 20.0 40.0 3.8 41.0 68.2 42.0 31.4 43.0 100.0 44.0 3.4 51.0 1.3 53.0 2.8 54.0 1.0 55.0 8.8 56.0 49.8 57.0 2.3 67.0 2.3 69.0 16.9 70.0 1.0 84.0 11.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 0.04 ml : 0.5 ml CDCl3 4-methyl-1-pentene 
Assign. Shift(ppm)
A 5.77 B 4.97 C 4.96 D 1.94 E 1.63 F 0.90
Hz ppm Int.533.13 5.953 41 523.75 5.849 41 522.19 5.831 34 515.44 5.756 54 512.88 5.727 52 508.56 5.679 36 506.06 5.651 86 499.19 5.574 58 455.56 5.087 52 454.31 5.073 102 453.06 5.059 176 451.75 5.045 96 451.13 5.038 94 450.06 5.026 161 449.06 5.015 88 447.56 4.998 46 441.81 4.934 30 440.69 4.921 54 439.25 4.905 104 437.94 4.890 146 437.19 4.882 73 436.56 4.875 73 435.38 4.862 52 181.44 2.026 62 180.44 2.015 64 179.13 2.001 39 174.38 1.948 142 173.25 1.935 109 172.06 1.922 44 168.31 1.880 73 167.31 1.869 103 159.00 1.776 31 152.94 1.708 37 152.38 1.702 32 147.13 1.643 32 146.31 1.634 48 140.19 1.566 48 138.94 1.552 30 82.94 0.927 1000 76.63 0.856 696
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
