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2,3-DIMETHYLHEXANE(584-94-1) 13C NMR
Product Name2,3-DIMETHYLHEXANE
CAS584-94-1
Molecular FormulaC8H18
Molecular Weight114.23
InChIInChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKey JXPOLSKBTUYKJB-UHFFFAOYSA-N
SmilesCC(C)C(C)CCC
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 0.04 ml : 0.5 ml CDCl3 2,3-dimethylhexane 
Assign. Shift(ppm)
A 1.54 B 1.35 C 1.28 D *1 1.22 E *1 1.06 F 0.883 G 0.853 J *2 0.798 K *2 0.781 THE SHIFT VALUES WERE OBTAINED AT 400MHZ. J(C,F)=7.1HZ. J(A,G)=6.8HZ. J(A,J)=5.4HZ. J(B,K)=5.4HZ.
Hz ppm Int.137.75 1.539 50 137.44 1.535 50 136.69 1.527 55 133.94 1.496 47 131.56 1.469 47 131.25 1.466 51 130.13 1.453 59 128.81 1.439 45 127.69 1.426 56 126.13 1.409 72 124.94 1.396 109 123.19 1.376 86 122.06 1.363 105 119.44 1.334 90 118.50 1.324 90 117.75 1.315 101 117.44 1.312 102 116.56 1.302 110 116.38 1.300 110 115.44 1.289 161 113.94 1.273 153 112.75 1.259 154 110.25 1.232 138 109.38 1.222 141 108.81 1.215 134 108.25 1.209 123 107.94 1.206 128 106.94 1.195 127 106.44 1.189 127 104.69 1.169 94 104.00 1.162 96 101.06 1.129 52 97.38 1.088 57 95.81 1.070 46 95.31 1.065 48 94.81 1.059 48 94.44 1.055 49 86.38 0.965 80 85.13 0.951 186 84.63 0.945 169 82.44 0.921 122 80.00 0.894 794 77.19 0.862 160 75.38 0.842 799 73.50 0.821 1000 68.88 0.770 725
in CDCl3
