4-Hydroxy-2-butanone(590-90-9) Raman
Product Name4-Hydroxy-2-butanone
CAS590-90-9
Molecular FormulaC4H8O2
Molecular Weight88.11
InChIInChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3
InChIKey LVSQXDHWDCMMRJ-UHFFFAOYSA-N
SmilesCC(=O)CCO
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MassMS-NW-6366 4-hydroxy-2-butanone C4H8O2 (Mass of molecular ion: 88)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 2.1 15.0 11.4 17.0 1.1 18.0 5.3 19.0 2.4 26.0 2.8 27.0 11.7 28.0 4.5 29.0 6.3 30.0 1.7 31.0 15.6 39.0 2.8 41.0 2.4 42.0 9.3 43.0 100.0 44.0 3.4 45.0 8.7 55.0 14.5 57.0 1.4 58.0 5.9 61.0 12.1 70.0 19.9 71.0 1.8 73.0 6.5 88.0 4.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 O2 0.05 ml : 0.5 ml CDCl3 4-hydroxy-2-butanone 
Assign. Shift(ppm)
A 3.839 B 3.40 C 2.699 D 2.200
Hz ppm Int.1542.85 3.861 114 1537.11 3.847 280 1531.37 3.832 275 1525.63 3.818 113 1363.65 3.413 94 1357.79 3.398 182 1351.93 3.383 77 1084.59 2.714 279 1078.74 2.700 426 1073.12 2.686 250 879.76 2.202 1000
in CDCl3
liquid film
4880 A,200 M,liquid
