2,5-DIMETHYL-1,5-HEXADIENE(627-58-7) IR1
Product Name2,5-DIMETHYL-1,5-HEXADIENE
CAS627-58-7
Molecular FormulaC8H14
Molecular Weight110.2
InChIInChI=1S/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3
InChIKey DSAYAFZWRDYBQY-UHFFFAOYSA-N
SmilesC=C(C)CCC(C)=C
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MassMS-NW-1053 2,5-dimethyl-1,5-hexadiene C8H14 (Mass of molecular ion: 110)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 1.3 18.0 2.8 26.0 1.1 27.0 19.8 28.0 3.7 29.0 32.6 38.0 1.6 39.0 32.4 40.0 6.1 41.0 29.0 42.0 4.5 43.0 10.9 50.0 1.9 51.0 3.9 52.0 1.7 53.0 20.0 54.0 5.9 55.0 90.6 56.0 11.4 57.0 1.3 59.0 2.3 65.0 2.3 66.0 1.5 67.0 45.7 68.0 73.0 69.0 11.3 70.0 5.5 77.0 3.9 79.0 4.9 80.0 2.2 81.0 24.5 82.0 5.4 91.0 2.2 93.0 4.9 95.0 100.0 96.0 8.0 109.0 2.0 110.0 8.6 111.0 1.2 113.0 4.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 0.04 ml : 0.5 ml CDCl3 2,5-dimethyl-1,5-hexadiene 
Assign. Shift(ppm)
A 4.70 B 2.151 C 1.733
Hz ppm Int.421.00 4.701 414 192.63 2.151 761 156.56 1.749 638 155.56 1.737 1000 154.31 1.723 716
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
