3-Methyl-2-butenal(107-86-8) IR1
Product Name3-Methyl-2-butenal
CAS107-86-8
Molecular FormulaC5H8O
Molecular Weight84.12
InChIInChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChIKey SEPQTYODOKLVSB-UHFFFAOYSA-N
SmilesC(=O)/C=C(/C)\C
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MassMS-IW-9111 3-methyl-2-butenal C5H8O (Mass of molecular ion: 84)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.1 26.0 2.7 27.0 20.8 28.0 7.7 29.0 30.3 37.0 2.5 38.0 4.9 39.0 34.7 40.0 5.8 41.0 39.4 42.0 2.9 43.0 4.1 44.0 4.4 49.0 1.2 50.0 4.9 51.0 5.2 52.0 1.5 53.0 11.6 54.0 2.8 55.0 69.0 56.0 6.5 57.0 2.5 65.0 2.1 66.0 1.0 67.0 1.5 69.0 5.9 82.0 1.7 83.0 48.5 84.0 100.0 85.0 7.8 100.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H8 O 0.05 ml : 0.5 ml CDCl3 3-methyl-2-butenal 
Assign. Shift(ppm)
A 9.963 B 5.879 C 2.187 D 1.992
Hz ppm Int.3985.75 9.974 488 3977.66 9.953 463 2356.26 5.896 91 2354.74 5.893 184 2353.67 5.890 233 2352.29 5.886 182 2350.92 5.883 77 2347.87 5.875 79 2346.80 5.873 186 2345.28 5.869 223 2344.21 5.866 170 2342.83 5.863 79 874.48 2.189 998 873.11 2.185 839 868.84 2.175 58 797.12 1.995 1000 795.59 1.991 868
in CDCl3
liquid film
