HEXAMETHYLBENZENE(87-85-4) IR1
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
-
MassMS-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 
Parameter ppm Hz
D(A) 2.222
Hz ppm Int.666.60 2.222 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,100M,powder
