Product Name2-Isobutoxyethylpropionate
Molecular FormulaC9H17O3-
Molecular Weight173.22948
InChIInChI=1S/C9H18O3/c1-7(2)6-12-5-4-8(3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)/p-1
InChIKey BPNNZXWWCPFNBX-UHFFFAOYSA-M
SmilesC([O-])(=O)C(CCOCC(C)C)C
-
MassMS-NW-2189 2-isobutoxyethyl propionate C9H18O3 (Mass of molecular ion: 174)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.6 18.0 1.4 26.0 1.6 27.0 10.9 28.0 7.1 29.0 38.0 30.0 1.3 31.0 3.2 39.0 3.8 41.0 18.8 42.0 2.1 43.0 7.9 44.0 4.0 45.0 11.0 55.0 2.0 56.0 31.8 57.0 100.0 58.0 4.8 71.0 4.6 72.0 2.2 73.0 3.9 74.0 2.7 75.0 6.5 87.0 2.4 88.0 3.1 100.0 6.3 101.0 27.5 102.0 5.9
90 MHz in CDCl3
-
1H NMR 89.56 MHz C9 H18 O3 0.04 ml : 0.5 ml CDCl3 2-isobutoxyethyl propionate 
Assign. Shift(ppm)
A 4.23 B 3.63 C 3.230 D 2.36 E 1.87 F 1.15 G 0.906
Hz ppm Int.383.69 4.285 197 379.06 4.233 147 377.44 4.215 83 374.06 4.177 180 329.31 3.677 200 326.56 3.647 73 325.94 3.640 100 324.44 3.623 155 323.56 3.613 114 322.88 3.606 78 321.44 3.590 38 319.50 3.568 128 292.88 3.271 426 286.19 3.196 498 223.63 2.497 52 222.88 2.489 48 215.44 2.406 191 208.69 2.331 143 207.94 2.322 228 201.00 2.245 76 200.31 2.237 75 174.44 1.948 42 167.56 1.871 55 161.06 1.799 49 110.06 1.229 296 108.56 1.213 74 102.75 1.148 714 102.25 1.142 405 95.44 1.066 156 94.94 1.061 214 86.75 0.969 38 83.94 0.938 1000 80.31 0.897 51 77.44 0.865 760
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
