3-Hydroxy-3-methyl-2-butanone(115-22-0) 13C NMR
Product Name3-Hydroxy-3-methyl-2-butanone
CAS115-22-0
Molecular FormulaC5H10O2
Molecular Weight102.13
InChIInChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
InChIKey BNDRWEVUODOUDW-UHFFFAOYSA-N
SmilesCC(=O)C(O)(C)C
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MassMS-NW-1352 3-hydroxy-3-methyl-2-butanone C5H10O2 (Mass of molecular ion: 102)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.5 15.0 9.9 18.0 2.9 27.0 3.0 28.0 2.5 29.0 4.3 31.0 41.6 39.0 4.6 41.0 20.6 42.0 2.6 43.0 33.0 44.0 1.3 45.0 2.0 57.0 3.3 58.0 1.3 59.0 100.0 60.0 3.5 69.0 2.4 71.0 1.7 85.0 1.2 86.0 6.0 87.0 4.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O2 0.02 ml : 0.5 ml CDCl3 3-hydroxy-3-methyl-2-butanone 
Assign. Shift(ppm)
A 3.8 B 2.249 C 1.394
Hz ppm Int.201.44 2.250 539 124.88 1.395 1000 122.94 1.373 40
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
