3,5-DIMETHYLOCTANE(15869-93-9) IR1
Product Name3,5-DIMETHYLOCTANE
CAS15869-93-9
Molecular FormulaC10H22
Molecular Weight142.28
InChIInChI=1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3
InChIKey VRHRGVJOUHJULC-UHFFFAOYSA-N
SmilesCCC(C)CC(C)CCC
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MassMS-NW-4573 3,5-dimethyloctane C10H22 (Mass of molecular ion: 142)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.6 27.0 7.8 28.0 1.0 29.0 15.5 39.0 5.8 40.0 1.2 41.0 22.1 42.0 6.8 43.0 67.0 44.0 2.3 53.0 1.8 55.0 12.7 56.0 13.5 57.0 100.0 58.0 4.9 69.0 5.6 70.0 19.8 71.0 51.5 72.0 3.1 83.0 1.1 84.0 4.7 85.0 11.5 98.0 4.8 99.0 10.3 112.0 1.8 113.0 8.6 142.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H22 0.04 ml : 0.5 ml CDCl3 3,5-dimethyloctane 
Assign. Shift(ppm)
A 1.42 to 1.12 B 0.87 C *1 0.85 D *1 0.82
Hz ppm Int.113.31 1.266 205 110.06 1.229 245 109.25 1.220 237 83.06 0.928 361 78.13 0.873 1000 76.13 0.851 955 72.00 0.804 680 70.13 0.784 659
in CDCl3
liquid film
