Methyl levulinate(624-45-3) MS
Product NameMethyl levulinate
CAS624-45-3
Molecular FormulaC6H10O3
Molecular Weight130.14
InChIInChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
InChIKey UAGJVSRUFNSIHR-UHFFFAOYSA-N
SmilesC(OC)(=O)CCC(=O)C
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MassMS-NW-4264 methyl 4-oxovalerate C6H10O3 (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 15.2 26.0 1.8 27.0 7.0 28.0 5.7 29.0 2.3 31.0 1.3 39.0 1.4 41.0 2.1 42.0 4.7 43.0 100.0 44.0 2.4 45.0 2.1 55.0 16.1 56.0 4.5 57.0 10.5 59.0 11.3 71.0 6.4 87.0 5.3 88.0 10.9 98.0 6.2 99.0 23.5 100.0 1.6 115.0 18.7 116.0 1.1 130.0 2.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 O3 0.04 ml : 0.5 ml CDCl3 methyl 4-oxovalerate 
Assign. Shift(ppm)
A 3.676 B 2.751 C 2.592 D 2.195
Hz ppm Int.329.25 3.677 1000 253.63 2.832 29 251.63 2.810 32 247.69 2.766 98 242.94 2.713 111 242.25 2.705 125 236.44 2.641 138 235.38 2.629 120 232.56 2.597 25 230.69 2.576 108 227.06 2.536 35 225.00 2.513 35 222.25 2.482 26 196.56 2.195 842
in CDCl3
CCl4 solution
liquid film
