Amyl acetate(628-63-7) MS
Product NameAmyl acetate
CAS628-63-7
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
InChIKey PGMYKACGEOXYJE-UHFFFAOYSA-N
SmilesC(OCCCCC)(=O)C
-
MassMS-NW-0059 pentyl acetate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 230 °C Sample Temperature: 55 °C Reservoir, 75 eV
15.0 3.8 18.0 1.7 27.0 9.6 28.0 3.1 29.0 14.3 31.0 9.3 39.0 6.8 40.0 1.1 41.0 23.2 42.0 43.1 43.0 100.0 44.0 3.1 45.0 1.8 55.0 35.5 56.0 5.0 57.0 6.0 58.0 3.8 61.0 24.7 69.0 8.4 70.0 53.8 71.0 3.6 73.0 13.5 87.0 1.7
90 MHz in CDCl3
-
1H NMR 89.56 MHz C7 H14 O2 0.04 ml : 0.5 ml CDCl3 pentyl acetate 
Assign. Shift(ppm)
A 4.049 B 2.040 C 1.63 D 1.52 to 1.14 E 0.91
Hz ppm Int.369.88 4.130 70 363.31 4.057 181 356.75 3.984 104 182.75 2.041 1000 146.38 1.635 41 145.56 1.626 42 139.88 1.562 39 138.63 1.548 30 127.56 1.425 30 124.88 1.395 99 122.00 1.363 83 120.88 1.350 63 119.69 1.337 68 117.94 1.317 81 116.94 1.306 69 114.38 1.278 48 110.75 1.237 41 87.63 0.979 54 87.00 0.972 56 81.38 0.909 177 75.38 0.842 42
in CDCl3
liquid film
4880 A,200 M,liquid
