Methoxyacetone(5878-19-3) MS
Product NameMethoxyacetone
CAS5878-19-3
Molecular FormulaC4H8O2
Molecular Weight88.11
InChIInChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3
InChIKey CUZLJOLBIRPEFB-UHFFFAOYSA-N
SmilesC(OC)C(=O)C
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MassMS-NW-5618 methoxyacetone C4H8O2 (Mass of molecular ion: 88)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 2.1 15.0 18.2 26.0 1.5 27.0 4.6 28.0 1.9 29.0 16.1 31.0 2.6 39.0 1.3 42.0 5.8 43.0 81.6 44.0 2.5 45.0 100.0 46.0 2.4 57.0 1.8 58.0 34.4 59.0 1.5 88.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H8 O2 0.05 ml : 0.5 ml CDCl3 methoxyacetone 
Assign. Shift(ppm)
A 4.029 B 3.421 C 2.148
Hz ppm Int.360.94 4.031 500 306.44 3.422 1000 192.44 2.149 908
in CDCl3
liquid film
