3-METHYL-2(5H)-FURANONE(22122-36-7) IR1
Product Name3-METHYL-2(5H)-FURANONE
CAS22122-36-7
Molecular FormulaC5H6O2
Molecular Weight98.1
InChIInChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3
InChIKey VGHBEMPMIVEGJP-UHFFFAOYSA-N
SmilesO1CC=C(C)C1=O
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MassMS-IW-9123 3-methyl-2(5H)-furanone C5H6O2 (Mass of molecular ion: 98)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.0 26.0 3.6 27.0 7.6 28.0 5.6 29.0 5.0 37.0 3.1 38.0 4.7 39.0 29.8 40.0 14.3 41.0 100.0 42.0 5.4 43.0 1.1 49.0 1.0 50.0 3.0 51.0 2.3 52.0 1.4 53.0 5.4 55.0 1.3 56.0 1.0 68.0 5.6 69.0 87.4 70.0 5.0 97.0 1.3 98.0 67.2 99.0 5.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H6 O2 0.05 ml : 0.5 ml CDCl3 3-methyl-2(5H)-furanone 
Assign. Shift(ppm)
A 7.256 B 4.800 C 1.933
Hz ppm Int.2904.05 7.267 73 2902.47 7.263 219 2900.88 7.259 368 2899.17 7.255 353 2897.58 7.251 198 2896.12 7.247 61 1922.49 4.811 222 1920.53 4.806 550 1918.46 4.801 686 1916.38 4.796 481 1914.31 4.790 167 775.27 1.940 587 773.56 1.936 1000 771.48 1.931 886 769.29 1.925 438
in CDCl3
liquid film
