2,5-Dimethyl-2,5-hexanediol(110-03-2) IR3
Product Name2,5-Dimethyl-2,5-hexanediol
CAS110-03-2
Molecular FormulaC8H18O2
Molecular Weight146.23
InChIInChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
InChIKey ZWNMRZQYWRLGMM-UHFFFAOYSA-N
SmilesCC(C)(O)CCC(C)(O)C
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MassMS-NW-1421 2,5-dimethyl-2,5-hexanediol C8H18O2 (Mass of molecular ion: 146)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.5 18.0 3.2 27.0 4.9 28.0 2.5 29.0 5.7 31.0 11.3 39.0 4.9 41.0 12.4 42.0 10.5 43.0 100.0 44.0 2.4 45.0 1.4 53.0 2.1 54.0 1.0 55.0 33.4 56.0 2.2 57.0 2.5 58.0 5.2 59.0 81.6 60.0 2.8 67.0 3.1 68.0 1.1 69.0 6.3 70.0 53.3 71.0 4.5 77.0 1.4 95.0 16.2 96.0 1.3 110.0 1.6 111.0 2.7 113.0 29.4 114.0 2.2
parameter in CDCl3
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1H NMR 300 MHz C8 H18 O2 0.044 g : 0.5 ml CDCl3 2,5-dimethyl-2,5-hexanediol 
Parameter ppm Hz
D(A) 1.227 D(B) 1.574 D(C) 2.463
Hz ppm Int.738.89 2.463 196 472.19 1.574 325 368.10 1.227 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
