2,4,4-TRIMETHYL-2-PENTENE(107-40-4) Raman
Product Name2,4,4-TRIMETHYL-2-PENTENE
CAS107-40-4
Molecular FormulaC8H16
Molecular Weight112.21
InChIInChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3
InChIKey LAAVYEUJEMRIGF-UHFFFAOYSA-N
SmilesC/C(/C)=C\C(C)(C)C
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MassMS-NW-3307 2,4,4-trimethyl-2-pentene C8H16 (Mass of molecular ion: 112)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.1 27.0 9.2 29.0 9.4 39.0 12.0 40.0 1.7 41.0 26.3 42.0 2.0 43.0 13.0 50.0 1.0 51.0 2.1 53.0 5.8 54.0 1.1 55.0 82.1 56.0 6.1 57.0 21.3 58.0 1.1 65.0 1.2 67.0 3.2 69.0 19.3 70.0 2.5 77.0 1.4 79.0 2.1 81.0 3.4 96.0 1.2 97.0 100.0 98.0 8.3 112.0 26.1 113.0 2.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 0.04 ml : 0.5 ml CDCl3 2,4,4-trimethyl-2-pentene 
Assign. Shift(ppm)
A 5.164 B *1 1.713 C *1 1.664 D 1.087 J(A,B)=J(A,C)=-1.4HZ.
Hz ppm Int.464.00 5.181 26 462.63 5.166 35 461.25 5.151 27 153.94 1.719 133 152.81 1.707 133 149.69 1.672 129 148.31 1.656 129 99.44 1.111 27 97.38 1.088 1000 95.38 1.065 36
in CDCl3
liquid film
