Acetylacetone(123-54-6) IR2
Product NameAcetylacetone
CAS123-54-6
Molecular FormulaC5H8O2
Molecular Weight100.12
InChIInChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N
SmilesCC(=O)CC(=O)C
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MassMS2014-05096CW 2,4-pentanedione C5H8O2 (Mass of molecular ion: 100)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
15.0 3.1 26.0 1.6 27.0 4.7 28.0 7.5 29.0 2.7 31.0 2.2 32.0 1.9 38.0 1.7 39.0 5.3 41.0 5.0 42.0 7.7 43.0 100.0 44.0 2.4 55.0 2.2 57.0 1.2 58.0 5.6 69.0 1.8 72.0 10.4 84.0 1.0 85.0 72.3 86.0 3.2 100.0 58.9 101.0 3.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H8 O2 0.05 ml : 0.5 ml CDCl3 2,4-pentanedione 
Assign. Shift(ppm)
A 5.524 C 3.612 D 2.236 E 2.044
Hz ppm Int.2207.64 5.524 360 1443.85 3.613 90 893.80 2.237 337 826.90 2.070 22 823.00 2.060 59 816.89 2.045 1000
in CDCl3
liquid film
4880 A,200 M,liquid
COPPER(II) COMPLEX, POWDERED FROM S.C., RT
COPPER(II) COMPLEX, IN CHCL3, 77K
COPPER(II) COMPLEX, POWDERED FROM S.C., 77K
COPPER(II) COMPLEX, IN CHCL3, RT
