Hydroxyacetone(116-09-6) Raman
Product NameHydroxyacetone
CAS116-09-6
Molecular FormulaC3H6O2
Molecular Weight74.08
InChIInChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
InChIKey XLSMFKSTNGKWQX-UHFFFAOYSA-N
SmilesC(O)C(=O)C
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MassMS-NW-8857 hydroxyacetone C3H6O2 (Mass of molecular ion: 74)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.3 15.0 9.4 18.0 3.6 26.0 1.1 27.0 3.1 28.0 1.8 29.0 5.8 30.0 1.0 31.0 16.8 39.0 1.4 40.0 2.7 41.0 1.7 42.0 4.3 43.0 100.0 44.0 2.7 45.0 4.5 55.0 1.1 57.0 1.8 58.0 1.8 68.0 1.3 74.0 8.0 75.0 1.1 97.0 1.9 99.0 1.0 112.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H6 O2 0.04 ml : 0.5 ml CDCl3 hydroxyacetone 
Assign. Shift(ppm)
A 4.257 B 3.26 C 2.171
Hz ppm Int.381.50 4.260 557 381.00 4.255 524 291.69 3.257 354 194.44 2.172 1000
in CDCl3
liquid film
4880 A,200 M,liquid
