2,5-Dimethyl-2,4-hexadiene(764-13-6) MS
Product Name2,5-Dimethyl-2,4-hexadiene
CAS764-13-6
Molecular FormulaC8H14
Molecular Weight110.2
InChIInChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3
InChIKey DZPCYXCBXGQBRN-UHFFFAOYSA-N
SmilesC/C(/C)=C\C=C(\C)/C
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MassMS-NW-1018 2,5-dimethyl-2,4-hexadiene C8H14 (Mass of molecular ion: 110)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
15.0 1.0 18.0 1.1 27.0 11.3 29.0 7.8 38.0 1.3 39.0 18.4 40.0 3.5 41.0 33.1 42.0 4.0 43.0 12.0 50.0 2.1 51.0 5.1 52.0 2.3 53.0 14.1 54.0 3.7 55.0 32.2 56.0 6.4 57.0 2.3 58.0 1.1 59.0 1.1 63.0 1.4 65.0 4.6 66.0 1.5 67.0 47.5 68.0 11.4 69.0 12.6 70.0 2.7 71.0 1.6 77.0 8.6 78.0 1.8 79.0 8.7 80.0 3.6 81.0 12.2 82.0 2.0 83.0 3.8 84.0 4.5 91.0 4.8 93.0 8.3 94.0 2.0 95.0 100.0 96.0 7.9 109.0 3.1 110.0 64.6 111.0 6.1 113.0 3.1
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-2,4-hexadiene 
Assign. Shift(ppm)
A 5.972 B *1 1.788 C *1 1.732
Hz ppm Int.534.88 5.973 223 160.13 1.788 1000 155.13 1.733 961
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
