2,5-Hexanedione(110-13-4) IR2
Product Name2,5-Hexanedione
CAS110-13-4
Molecular FormulaC6H10O2
Molecular Weight114.14
InChIInChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChIKey OJVAMHKKJGICOG-UHFFFAOYSA-N
SmilesCC(=O)CCC(=O)C
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MassMS-NW-1214 2,5-hexanedione C6H10O2 (Mass of molecular ion: 114)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 6.4 27.0 3.8 28.0 1.7 39.0 1.6 41.0 1.6 42.0 3.1 43.0 100.0 44.0 2.5 45.0 1.2 53.0 1.0 55.0 1.0 57.0 5.4 71.0 11.7 72.0 2.7 99.0 22.1 100.0 1.2 114.0 5.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 O2 0.04 ml : 0.5 ml CDCl3 2,5-hexanedione 
Assign. Shift(ppm)
A 2.71 B 2.19
Hz ppm Int.
242.56 2.709 589 196.00 2.189 1000 193.44 2.160 27
in CDCl3
CCl4 solution
liquid film
