3,5,5-TRIMETHYL-1-HEXENE(4316-65-8) IR2
Product Name3,5,5-TRIMETHYL-1-HEXENE
CAS4316-65-8
Molecular FormulaC9H18
Molecular Weight126.24
InChIInChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H3
InChIKey JTXUVHFRSRTSAT-UHFFFAOYSA-N
SmilesC=CC(C)CC(C)(C)C
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MassMS-NW-2204 3,5,5-trimethyl-1-hexene C9H18 (Mass of molecular ion: 126)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 10.4 28.0 1.0 29.0 20.0 39.0 10.8 40.0 1.5 41.0 32.8 42.0 3.6 43.0 44.5 44.0 1.4 51.0 1.2 53.0 4.3 54.0 1.6 55.0 50.7 56.0 15.3 57.0 100.0 58.0 4.6 67.0 2.2 68.0 1.6 69.0 27.0 70.0 45.0 71.0 26.0 72.0 1.4 83.0 3.4 84.0 1.2 95.0 1.1 98.0 1.2 111.0 5.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H18 0.04 ml : 0.5 ml CDCl3 3,5,5-trimethyl-1-hexene 
Assign. Shift(ppm)
A 5.72 B 4.949 C 4.842 D 2.28 E *1 1.29 F *1 1.19 G 0.991 J 0.898
Hz ppm Int.448.94 5.013 28 448.00 5.003 28 438.69 4.899 26 437.94 4.890 26 117.06 1.308 40 111.88 1.250 38 110.19 1.231 39 106.94 1.195 36 91.81 1.026 184 85.06 0.950 156 82.38 0.920 26 80.44 0.899 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
