2,3-Pentanedione(600-14-6) 13C NMR
Product Name2,3-Pentanedione
CAS600-14-6
Molecular FormulaC5H8O2
Molecular Weight100.12
InChIInChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3
InChIKey TZMFJUDUGYTVRY-UHFFFAOYSA-N
SmilesCC(=O)C(=O)CC
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MassMS-NW-4711 2,3-pentanedione C5H8O2 (Mass of molecular ion: 100)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 2.1 15.0 8.7 18.0 1.0 26.0 4.0 27.0 16.4 28.0 3.5 29.0 61.0 30.0 1.5 39.0 1.1 42.0 4.9 43.0 100.0 44.0 3.8 45.0 1.9 55.0 1.1 57.0 48.0 58.0 1.9 100.0 11.9 101.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H8 O2 0.04 ml : 0.5 ml CDCl3 2,3-pentanedione 
Assign. Shift(ppm)
A 2.775 B 2.339 C 1.091
Hz ppm Int.259.63 2.899 51 259.13 2.894 46 252.06 2.815 154 245.25 2.739 131 244.81 2.734 175 237.94 2.657 70 237.44 2.652 59 209.50 2.340 1000 104.63 1.169 184 97.56 1.090 365 90.13 1.007 151 89.75 1.003 76
in CDCl3
liquid film
