Ethyl levulinate(539-88-8) MS
Product NameEthyl levulinate
CAS539-88-8
Molecular FormulaC7H12O3
Molecular Weight144.17
InChIInChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChIKey GMEONFUTDYJSNV-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCC(=O)C
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MassMS-NW-8885 ethyl 4-oxovalerate C7H12O3 (Mass of molecular ion: 144)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.9 26.0 1.5 27.0 9.3 28.0 7.5 29.0 17.4 30.0 1.7 31.0 1.5 39.0 1.1 41.0 1.3 42.0 4.7 43.0 100.0 44.0 2.7 45.0 9.1 55.0 10.9 56.0 7.1 57.0 7.7 58.0 1.8 61.0 1.1 71.0 13.0 72.0 1.3 73.0 14.4 74.0 20.7 75.0 5.2 81.0 1.4 98.0 12.0 99.0 69.1 100.0 4.6 101.0 18.6 102.0 23.5 103.0 1.8 116.0 1.1 129.0 21.5 130.0 1.5 144.0 2.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H12 O3 0.04 ml : 0.5 ml CDCl3 ethyl 4-oxovalerate 
Assign. Shift(ppm)
A 4.126 B 2.74 C 2.58 D 2.190 E 1.255
Hz ppm Int.380.69 4.251 71 373.38 4.170 227 366.25 4.090 237 359.25 4.012 83 252.56 2.821 38 250.31 2.795 36 246.75 2.756 121 241.75 2.700 144 241.06 2.692 149 235.13 2.626 180 234.13 2.615 146 230.00 2.569 114 229.31 2.561 137 225.69 2.520 41 223.63 2.497 46 220.88 2.467 33 196.19 2.191 1000 119.31 1.333 310 112.25 1.254 677 105.06 1.174 271
in CDCl3
liquid film
4880 A,200 M,liquid
