Propyl propionate (106-36-5) MS
Product NamePropyl propionate
CAS106-36-5
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
InChIKey MCSINKKTEDDPNK-UHFFFAOYSA-N
SmilesC(OCCC)(=O)CC
-
MassMS-NW-0769 propyl propionate C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.9 27.0 14.2 28.0 4.6 29.0 33.1 30.0 1.0 31.0 4.6 39.0 3.3 41.0 10.7 42.0 9.7 43.0 21.0 56.0 2.1 57.0 100.0 58.0 3.7 59.0 5.5 74.0 3.3 75.0 41.5 76.0 1.5 87.0 8.6
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H12 O2 0.04 ml : 0.5 ml CDCl3 propyl propionate 
Assign. Shift(ppm)
A 4.032 B 2.320 C 1.647 D 1.145 E 0.948
Hz ppm Int.367.94 4.109 266 361.31 4.035 553 354.69 3.961 296 220.38 2.461 66 219.63 2.453 70 212.25 2.370 295 204.63 2.285 344 197.69 2.208 104 197.00 2.200 104 165.63 1.850 30 160.13 1.788 37 158.44 1.770 96 153.44 1.714 41 152.00 1.698 143 151.38 1.691 142 145.44 1.624 104 144.50 1.614 196 137.63 1.537 131 136.94 1.530 71 131.38 1.467 30 130.31 1.456 32 109.75 1.226 401 102.44 1.144 1000 101.94 1.139 591 94.63 1.057 301 94.06 1.051 173 92.13 1.029 177 91.44 1.021 343 90.81 1.014 236 88.94 0.994 38 88.31 0.987 30 84.56 0.945 690 83.75 0.936 376 77.56 0.867 110 76.75 0.857 206 75.81 0.847 121
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
