Propyl acetate(109-60-4) Raman
Product NamePropyl acetate
CAS109-60-4
Molecular FormulaC5H10O2
Molecular Weight102.13
InChIInChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
InChIKey YKYONYBAUNKHLG-UHFFFAOYSA-N
SmilesC(OCCC)(=O)C
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MassMS-NW-1063 propyl acetate C5H10O2 (Mass of molecular ion: 102)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 4.6 27.0 6.4 28.0 1.4 29.0 1.7 31.0 4.8 39.0 2.7 41.0 6.9 42.0 7.9 43.0 100.0 44.0 2.3 57.0 1.1 59.0 5.1 61.0 26.8 72.0 1.3 73.0 13.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O2 0.04 ml : 0.5 ml CDCl3 propyl acetate 
Assign. Shift(ppm)
A 4.023 B 2.050 C 1.65 D 0.95
Hz ppm Int.367.13 4.100 120 360.44 4.025 250 353.75 3.950 134 183.56 2.050 1000 158.56 1.771 45 152.06 1.698 69 151.56 1.693 68 145.44 1.624 51 144.50 1.614 92 137.63 1.537 59 91.56 1.023 157 84.63 0.945 316 83.88 0.937 174 77.63 0.867 56 76.88 0.859 92 75.88 0.848 53
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
