Product NameDiethyl malonate
CAS105-53-3
Molecular FormulaC7H12O4
Molecular Weight160.17
InChIInChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChIKey IYXGSMUGOJNHAZ-UHFFFAOYSA-N
SmilesC(OCC)(=O)CC(OCC)=O
Mass
MS-NW-8354 diethyl malonate C7H12O4 (Mass of molecular ion: 160)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
14.0 2.0 15.0 4.8 19.0 1.2 26.0 2.5 27.0 20.2 28.0 7.3 29.0 100.0 30.0 3.0 31.0 11.9 41.0 3.9 42.0 26.7 43.0 70.0 44.0 3.3 45.0 17.2 46.0 1.1 55.0 1.0 59.0 1.5 60.0 19.5 61.0 8.3 69.0 3.9 70.0 4.8 73.0 3.2 86.0 2.3 87.0 10.0 88.0 25.7 89.0 1.7 105.0 4.3 114.0 1.1 115.0 58.8 116.0 3.4 132.0 1.6 133.0 33.8 134.0 1.9 160.0 1.1
parameter in CDCl3
1H NMR | 300 MHz |
C7 H12 O4 | 0.04 ml : 0.5 ml CDCl3 |
diethyl malonate |
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Parameter ppm Hz |
Hz ppm Int.
1272.50 4.242 163 1265.41 4.218 494 1258.29 4.194 500 1251.20 4.171 171 1008.29 3.361 669 392.57 1.309 507 385.51 1.285 1000 378.39 1.261 488
in CDCl3
liquid film
4880 A,200 M,liquid
Diethyl malonate(105-53-3) Raman Atlas of Related Products