2,4,4-TRIMETHYL-1-HEXENE(51174-12-0) 1H NMR
Product Name2,4,4-TRIMETHYL-1-HEXENE
CAS51174-12-0
Molecular FormulaC9H18
Molecular Weight126.24
InChIInChI=1S/C9H18/c1-6-9(4,5)7-8(2)3/h2,6-7H2,1,3-5H3
InChIKey AVKVJWFFVHGHLJ-UHFFFAOYSA-N
SmilesC=C(C)CC(C)(C)CC
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MassMS-NW-3699 2,4,4-trimethyl-1-hexene C9H18 (Mass of molecular ion: 126)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 10.6 29.0 14.1 39.0 11.4 40.0 1.7 41.0 23.7 42.0 4.7 43.0 100.0 44.0 3.5 51.0 1.2 53.0 4.2 54.0 1.1 55.0 39.8 56.0 5.0 57.0 3.3 67.0 2.6 69.0 22.8 70.0 46.4 71.0 86.9 72.0 5.1 81.0 2.4 97.0 10.4 111.0 3.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H18 0.04 ml : 0.5 ml CDCl3 2,4,4-trimethyl-1-hexene 
Assign. Shift(ppm)
A *1 4.826 B *1 4.625 C 1.929 D 1.770 E 1.26 F 0.864 G 0.86 J(A,D)=1.5HZ. J(B,D)=0.8HZ. J(A,B)=2.6HZ.
Hz ppm Int.434.63 4.853 35 433.19 4.837 42 432.00 4.824 52 430.56 4.808 48 415.81 4.643 44 415.00 4.634 48 414.13 4.625 40 413.25 4.615 39 412.38 4.605 36 173.25 1.935 157 172.50 1.927 163 159.69 1.784 163 158.88 1.775 191 158.25 1.767 185 157.44 1.758 171 118.00 1.318 43 117.06 1.308 40 110.13 1.230 69 104.44 1.167 38 102.81 1.148 35 82.75 0.924 55 81.81 0.914 81 81.50 0.911 79 80.75 0.902 66 77.38 0.865 1000 75.13 0.839 263 72.44 0.809 40 68.50 0.765 31 67.31 0.752 42
in CDCl3
liquid film
