Isopropyl acetate (108-21-4) MS
Product NameIsopropyl acetate
CAS108-21-4
Molecular FormulaC5H10O2
Molecular Weight102.13
InChIInChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChIKey JMMWKPVZQRWMSS-UHFFFAOYSA-N
SmilesC(OC(C)C)(=O)C
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MassMS-NW-1432 isopropyl acetate C5H10O2 (Mass of molecular ion: 102)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 15.0 6.7 27.0 6.7 28.0 1.3 29.0 1.1 31.0 1.5 39.0 4.2 40.0 1.0 41.0 12.1 42.0 7.1 43.0 100.0 44.0 2.5 45.0 3.6 59.0 10.6 61.0 23.7 87.0 12.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O2 0.04 ml : 0.5 ml CDCl3 isopropyl acetate 
Assign. Shift(ppm)
A 4.988 B 2.017 C 1.233
Hz ppm Int.453.44 5.063 47 447.13 4.993 64 440.88 4.923 50 180.63 2.017 1000 113.50 1.268 842 111.38 1.244 30 107.25 1.198 818 105.13 1.174 31
in CDCl3
liquid film
4880 A,200 M,liquid
