4,4-DIMETHYLOCTANE(15869-95-1) IR1
Product Name4,4-DIMETHYLOCTANE
CAS15869-95-1
Molecular FormulaC10H22
Molecular Weight142.28
InChIInChI=1S/C10H22/c1-5-7-9-10(3,4)8-6-2/h5-9H2,1-4H3
InChIKey ZMEDGZAGMLTROM-UHFFFAOYSA-N
SmilesCCCC(C)(C)CCCC
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MassMS-NW-3702 4,4-dimethyloctane C10H22 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 10.4 29.0 13.2 39.0 6.4 40.0 1.1 41.0 25.2 42.0 2.5 43.0 85.7 44.0 2.9 53.0 1.9 55.0 9.2 56.0 15.3 57.0 100.0 58.0 4.8 69.0 7.2 70.0 5.3 71.0 14.3 84.0 17.0 85.0 73.2 86.0 5.1 98.0 6.5 99.0 22.5 100.0 1.8 127.0 4.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H22 0.04 ml : 0.5 ml CDCl3 4,4-dimethyloctane 
Assign. Shift(ppm)
A 1.17 B 0.88 C 0.819
Hz ppm Int.116.00 1.296 28 114.13 1.275 28 112.00 1.251 29 111.31 1.243 31 109.56 1.224 73 106.25 1.187 154 104.81 1.171 262 101.81 1.137 103 88.00 0.983 48 85.50 0.955 56 84.00 0.938 75 82.13 0.918 45 80.19 0.896 125 78.63 0.878 130 76.13 0.851 31 75.44 0.843 38 73.38 0.820 1000
in CDCl3
liquid film
