Acetone(67-64-1) MS
Molecular FormulaC3H6O
Molecular Weight58.08
InChIInChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChIKey CSCPPACGZOOCGX-UHFFFAOYSA-N
SmilesCC(=O)C
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MassMS-IW-7880 acetone C3H6O (Mass of molecular ion: 58)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 2.9 15.0 23.1 26.0 3.5 27.0 5.7 28.0 1.2 29.0 3.1 37.0 1.8 38.0 2.2 39.0 4.2 40.0 1.0 41.0 2.0 42.0 9.1 43.0 100.0 44.0 3.4 57.0 1.7 58.0 63.8 59.0 3.1
parameter in CDCl3
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1H NMR 300 MHz C3 H6 O 0.02 ml : 0.5 ml CDCl3 acetone 
Parameter ppm Hz
D(A) 2.162
Hz ppm Int.648.60 2.162 1000
in CDCl3
liquid film
4880 A,100M,liquid
