Product NameHEXAMETHYLBENZENE
CAS87-85-4
Molecular FormulaC12H18
Molecular Weight162.27
InChIInChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
InChIKey YUWFEBAXEOLKSG-UHFFFAOYSA-N
SmilesC1(C)=C(C)C(C)=C(C)C(C)=C1C

Mass
MS-NW-0223 hexamethylbenzene C12H18 (Mass of molecular ion: 162)
Source Temperature: 160 °C Sample Temperature: 0 °C Direct, 75 eV
27.0 5.3
29.0 2.6
39.0 7.6
40.0 1.0
41.0 9.3
50.0 1.2
51.0 4.1
52.0 1.6
53.0 6.1
55.0 3.1
63.0 2.5
64.0 1.1
65.0 4.7
66.0 1.1
67.0 1.3
77.0 7.4
78.0 1.9
79.0 4.3
81.0 1.1
91.0 13.7
92.0 1.6
93.0 2.5
103.0 2.5
105.0 8.3
106.0 1.4
107.0 2.4
108.0 1.1
115.0 6.2
116.0 4.4
117.0 5.9
118.0 1.4
119.0 8.3
120.0 1.4
127.0 1.1
128.0 3.8
129.0 4.0
130.0 2.6
131.0 6.1
132.0 2.2
133.0 5.0
145.0 2.4
146.0 1.1
147.0 100.0
148.0 12.2
161.0 6.3
162.0 56.8
163.0 8.0
parameter in CDCl3

| 1H NMR | 300 MHz |
| C12 H18 | 0.040 g : 0.5 ml CDCl3 |
| hexamethylbenzene | |
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Parameter ppm Hz |
Hz ppm Int.
666.60 2.222 1000
in CDCl3

CCl4 solution

KBr disc

nujol mull

4880 A,100M,powder

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