2,4,4-TRIMETHYL-1-PENTENE(107-39-1) IR2
Product Name2,4,4-TRIMETHYL-1-PENTENE
CAS107-39-1
Molecular FormulaC8H16
Molecular Weight112.21
InChIInChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3
InChIKey FXNDIJDIPNCZQJ-UHFFFAOYSA-N
SmilesC=C(C)CC(C)(C)C
-
MassMS-KW-0247 2,4,4-trimethyl-1-pentene C8H16 (Mass of molecular ion: 112)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 5.6 28.0 1.8 29.0 17.2 39.0 8.3 40.0 1.3 41.0 33.6 42.0 1.4 43.0 2.2 53.0 2.4 55.0 23.6 56.0 17.7 57.0 100.0 58.0 4.4 69.0 5.4 97.0 9.9 112.0 9.5
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C8H16 0.05 ml : 0.5 ml CDCl3 2,4,4-trimethyl-1-pentene 
Assign. Shift(ppm)
A 4.832 B 4.625 C 1.935 D 1.774 E 0.926
Hz ppm Int.1934.82 4.840 41 1933.35 4.837 95 1931.89 4.833 106 1930.79 4.830 108 1929.33 4.826 94 1927.86 4.823 37 1851.32 4.631 64 1850.47 4.629 104 1849.61 4.627 112 1848.76 4.625 102 1847.91 4.623 105 1847.05 4.621 94 1846.20 4.618 55 773.81 1.936 316 772.95 1.934 299 710.09 1.777 352 709.11 1.774 356 708.50 1.773 348 707.65 1.771 324 370.00 0.926 1000
-
1H NMR 89.56 MHz C8 H16 0.04 ml : 0.5 ml CDCl3 2,4,4-trimethyl-1-pentene Assign. Shift(ppm)
A 4.83 B 4.63 C 1.94 D 1.78 E 0.926
Hz ppm Int.434.69 4.854 22 433.31 4.839 27 432.06 4.825 33 430.63 4.809 28 415.81 4.643 30 415.00 4.634 31 414.13 4.625 27 413.25 4.615 26 412.38 4.605 22 173.75 1.941 120 160.00 1.787 115 159.13 1.777 137 158.56 1.771 126 157.75 1.762 107 82.94 0.927 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
