2-Methyltetrahydrofuran-3-one(3188-00-9) MS
Product Name2-Methyltetrahydrofuran-3-one
CAS3188-00-9
Molecular FormulaC5H8O2
Molecular Weight100.12
InChIInChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKey FCWYQRVIQDNGBI-UHFFFAOYSA-N
SmilesO1CCC(=O)C1C
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MassMS-IW-4055 2-methyl-4,5-dihydro-3(2H)-furanone C5H8O2 (Mass of molecular ion: 100)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.7 15.0 7.1 18.0 1.5 19.0 1.1 26.0 6.6 27.0 19.1 28.0 55.9 29.0 27.9 31.0 4.8 39.0 2.0 41.0 2.1 42.0 10.4 43.0 100.0 44.0 36.1 45.0 34.8 55.0 5.5 56.0 4.7 57.0 5.2 58.0 4.1 60.0 1.7 71.0 1.6 72.0 87.3 73.0 6.0 85.0 1.3 100.0 56.3 101.0 3.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H8 O2 0.05 ml : 0.5 ml CDCl3 2-methyl-4,5-dihydro-3(2H)-furanone 
Assign. Shift(ppm)
A *1 4.322 B *1 4.069 C 3.796 D *2 2.530 E *2 2.513 F 1.287
Hz ppm Int.1739.01 4.352 84 1738.40 4.350 75 1734.01 4.339 108 1733.28 4.337 84 1731.32 4.333 98 1730.83 4.331 86 1729.61 4.328 105 1729.00 4.327 101 1726.32 4.320 95 1725.71 4.319 89 1724.85 4.316 102 1724.12 4.315 98 1721.68 4.308 109 1721.19 4.307 95 1716.92 4.297 102 1716.31 4.295 92 1639.04 4.102 147 1631.35 4.082 179 1630.37 4.080 172 1629.64 4.078 142 1622.68 4.061 191 1622.19 4.060 156 1620.73 4.056 133 1613.28 4.037 132 1527.83 3.823 75 1521.00 3.806 219 1514.16 3.789 222 1507.32 3.772 80 1017.82 2.547 201 1012.21 2.533 195 1009.89 2.527 249 1008.91 2.525 237 1007.32 2.521 223 1004.76 2.515 208 1001.22 2.506 238 999.63 2.502 233 517.94 1.296 1000 515.87 1.291 62 511.11 1.279 995
in CDCl3
liquid film
