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2,5-DIMETHYLHEXANE(592-13-2) 13C NMR
Product Name2,5-DIMETHYLHEXANE
CAS592-13-2
Molecular FormulaC8H18
Molecular Weight114.23
InChIInChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey UWNADWZGEHDQAB-UHFFFAOYSA-N
SmilesCC(C)CCC(C)C
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 0.04 ml : 0.5 ml CDCl3 2,5-dimethylhexane 
Assign. Shift(ppm)
A 1.48 B *1 1.17 B' *1 1.17 C *1 1.14 C' *1 1.14 D 0.873 J(A,D)=6.6 HZ.
Hz ppm Int.135.31 1.511 22 123.94 1.384 25 107.44 1.200 220 105.06 1.174 93 103.94 1.161 143 102.69 1.147 62 101.69 1.136 81 100.94 1.128 99 80.94 0.904 1000 74.88 0.837 674
in CDCl3
