Isopropenyl acetate(108-22-5) IR1
Product NameIsopropenyl acetate
CAS108-22-5
Molecular FormulaC5H8O2
Molecular Weight100.12
InChIInChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InChIKey HETCEOQFVDFGSY-UHFFFAOYSA-N
SmilesC=C(OC(=O)C)C
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MassMS-NW-4198 isopropenyl acetate C5H8O2 (Mass of molecular ion: 100)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.5 15.0 6.8 27.0 2.7 29.0 1.5 38.0 1.0 39.0 5.7 40.0 1.2 41.0 7.9 42.0 3.9 43.0 100.0 44.0 2.2 57.0 2.5 58.0 16.3 72.0 7.1 100.0 5.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H8 O2 10.0 mol% in CDCl3 isopropenyl acetate 
Assign. Shift(ppm)
A 1.923 B 2.122 C 4.66 to 4.73
Hz ppm Int.421.88 4.711 52 420.56 4.696 109 419.44 4.684 220 418.81 4.677 151 418.13 4.669 90 417.50 4.662 35 190.00 2.122 1000 172.94 1.931 311 172.31 1.924 307 171.81 1.919 332 171.19 1.912 273
in CDCl3
liquid film
