3,6-DIMETHYLOCTANE(15869-94-0) IR1
Product Name3,6-DIMETHYLOCTANE
CAS15869-94-0
Molecular FormulaC10H22
Molecular Weight142.28
InChIInChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3
InChIKey JEEQUUSFXYRPRK-UHFFFAOYSA-N
SmilesCCC(C)CCC(C)CC
90 MHz in CDCl3
-
1H NMR 89.56 MHz C10 H22 0.04 ml : 0.5 ml CDCl3 3,6-dimethyloctane 
Assign. Shift(ppm)
A 1.67 to 1.00 B 0.87
Hz ppm Int.131.25 1.466 40 130.94 1.463 39 130.56 1.458 43 130.06 1.453 41 129.06 1.442 43 128.63 1.437 39 128.38 1.434 39 127.94 1.429 39 127.38 1.423 45 122.06 1.363 135 121.56 1.358 133 112.75 1.259 313 106.63 1.191 473 102.19 1.142 257 100.63 1.124 223 95.75 1.070 119 92.94 1.038 127 92.31 1.031 123 90.56 1.012 94 87.44 0.977 147 86.94 0.971 143 86.25 0.964 136 85.88 0.959 136 82.69 0.924 496 82.06 0.917 496 77.63 0.867 1000 73.31 0.819 716 66.63 0.744 105
in CDCl3
liquid film
