Diethyl methylmalonate(609-08-5) Raman
Product NameDiethyl methylmalonate
CAS609-08-5
Molecular FormulaC8H14O4
Molecular Weight174.19
InChIInChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3
InChIKey UPQZOUHVTJNGFK-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(C)C(OCC)=O
-
MassMS-NW-1304 diethyl methylmalonate C8H14O4 (Mass of molecular ion: 174)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.6 26.0 2.7 27.0 18.7 28.0 13.2 29.0 100.0 30.0 3.9 31.0 2.8 41.0 5.0 43.0 2.0 45.0 8.2 55.0 5.8 56.0 20.0 57.0 20.6 73.0 12.6 74.0 42.0 75.0 4.8 100.0 1.3 101.0 8.2 102.0 18.9 103.0 2.0 128.0 7.2 129.0 46.7 130.0 3.1 146.0 2.6 147.0 8.6 174.0 4.3
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H14 O4 0.04 ml : 0.5 ml CDCl3 diethyl methylmalonate 
Assign. Shift(ppm)
A 4.190 B 3.417 C 1.419 D 1.275
Hz ppm Int.387.06 4.322 91 379.75 4.241 349 372.56 4.160 420 365.50 4.082 151 317.50 3.546 27 310.13 3.463 79 302.81 3.382 85 295.63 3.301 34 130.50 1.458 470 123.19 1.376 417 121.00 1.352 463 113.94 1.273 1000 106.75 1.192 395
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
