4-ETHYL-1,3-DIOXOLAN-2-ONE(4437-85-8) MS
Product Name4-ETHYL-1,3-DIOXOLAN-2-ONE
CAS4437-85-8
Molecular FormulaC5H8O3
Molecular Weight116.12
InChIInChI=1S/C5H8O3/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3
InChIKey ZZXUZKXVROWEIF-UHFFFAOYSA-N
SmilesO1CC(CC)OC1=O
-
MassMS2009-03933CW 4-ethyl-1,3-dioxolan-2-one C5H8O3 (Mass of molecular ion: 116)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
15.0 9.7 26.0 4.1 27.0 23.5 28.0 2.1 29.0 14.3 30.0 5.4 31.0 2.7 37.0 1.0 38.0 2.3 39.0 14.8 40.0 4.1 41.0 25.4 42.0 47.8 43.0 100.0 44.0 14.0 45.0 1.2 50.0 1.1 53.0 1.3 54.0 1.5 55.0 1.1 57.0 12.9 58.0 2.4 71.0 3.2 72.0 1.5 86.0 14.0 87.0 70.2 88.0 2.5 116.0 1.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C5 H8 O3 0.05 ml : 0.5 ml CDCl3 4-ethyl-1,3-dioxolan-2-one 
Assign. Shift(ppm)
A *1 4.706 B *1 4.565 C 4.114 D 1.79 E 1.031
Hz ppm Int.1895.02 4.742 54 1889.40 4.728 67 1888.06 4.725 114 1887.21 4.723 83 1882.45 4.711 120 1881.35 4.708 123 1880.13 4.705 140 1874.51 4.691 143 1873.29 4.688 80 1867.55 4.673 70 1832.52 4.586 322 1824.58 4.566 295 1824.10 4.565 355 1816.16 4.545 268 1651.61 4.133 269 1644.65 4.116 260 1643.07 4.112 248 1636.11 4.094 221 743.29 1.860 40 736.45 1.843 84 729.13 1.825 184 722.05 1.807 234 720.58 1.804 163 714.84 1.789 267 713.13 1.785 163 707.40 1.771 185 706.30 1.768 72 705.81 1.767 75 700.20 1.753 66 698.85 1.749 44 693.24 1.735 34 419.56 1.050 615 416.38 1.042 46 412.11 1.032 1000 404.54 1.013 542
in CDCl3
Liquid film
