Allyl acetate(591-87-7) MS
Product NameAllyl acetate
CAS591-87-7
Molecular FormulaC5H8O2
Molecular Weight100.12
InChIInChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
InChIKey FWZUNOYOVVKUNF-UHFFFAOYSA-N
SmilesC(OCC=C)(=O)C
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MassMS-NW-0754 allyl acetate C5H8O2 (Mass of molecular ion: 100)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 5.1 26.0 1.3 27.0 2.9 28.0 1.2 29.0 1.1 31.0 1.1 38.0 1.4 39.0 10.7 40.0 2.8 41.0 11.6 43.0 100.0 44.0 2.3 57.0 1.7 58.0 12.5 61.0 3.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H8 O2 10.2 mol% in CDCl3 allyl acetate 
Assign. Shift(ppm)
A 5.901 B 5.32 C 5.23 D 4.569 E 2.078
Hz ppm Int.535.56 5.980 31 528.31 5.899 39 524.00 5.851 34 522.88 5.839 30 518.31 5.788 52 513.00 5.729 38 485.94 5.426 30 484.44 5.410 61 484.06 5.405 58 482.69 5.390 87 481.25 5.374 45 475.31 5.308 42 474.13 5.294 76 472.94 5.281 52 472.31 5.274 53 467.19 5.217 48 465.44 5.197 59 464.13 5.183 64 462.88 5.169 38 462.31 5.163 49 413.31 4.615 92 412.06 4.601 144 410.75 4.587 89 407.75 4.553 86 406.50 4.539 138 405.13 4.524 80 186.25 2.080 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
