DIETHYL 2-(2-CYANOETHYL)MALONATE(17216-62-5) MS
Product NameDIETHYL 2-(2-CYANOETHYL)MALONATE
CAS17216-62-5
Molecular FormulaC10H15NO4
Molecular Weight213.23
InChIInChI=1S/C10H15NO4/c1-3-14-9(12)8(6-5-7-11)10(13)15-4-2/h8H,3-6H2,1-2H3
InChIKey YJJLOESDBPRZIP-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(CCC#N)C(OCC)=O
-
MassMS-IW-0228 diethyl (2-cyanoethyl)malonate C10H15NO4 (Mass of molecular ion: 213)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.9 18.0 2.4 26.0 2.3 27.0 25.3 28.0 7.3 29.0 87.2 30.0 2.4 31.0 5.3 39.0 5.7 40.0 1.7 41.0 36.8 42.0 4.1 43.0 4.8 44.0 2.2 45.0 8.4 54.0 3.8 55.0 85.0 56.0 3.6 58.0 1.0 66.0 3.0 67.0 1.8 68.0 31.3 69.0 75.9 70.0 4.9 73.0 62.9 74.0 2.1 82.0 2.6 83.0 1.0 84.0 1.6 85.0 2.7 86.0 5.6 87.0 1.1 88.0 3.5 94.0 4.9 95.0 16.2 96.0 100.0 97.0 6.5 99.0 4.2 101.0 81.6 102.0 4.6 104.0 1.6 105.0 1.9 112.0 6.2 113.0 2.5 114.0 5.4 115.0 2.2 122.0 4.4 124.0 5.2 127.0 5.5 129.0 3.3 132.0 3.3 133.0 7.4 140.0 14.3 141.0 23.3 142.0 2.7 145.0 2.8 158.0 1.8 160.0 10.1 167.0 1.0 168.0 66.9 169.0 7.0 173.0 3.7 186.0 9.3 214.0 4.1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C10 H15 N O4 0.05 ml : 0.5 ml CDCl3 diethyl (2-cyanoethyl)malonate 
Assign. Shift(ppm)
A *1 4.231 B *1 4.225 C 3.505 D 2.520 E 2.243 F 1.287
Hz ppm Int.1705.81 4.269 45 1702.15 4.260 96 1699.10 4.252 116 1695.07 4.242 281 1692.02 4.234 300 1687.87 4.224 305 1684.81 4.216 304 1680.79 4.206 128 1677.73 4.198 110 1674.07 4.189 49 1408.20 3.524 90 1400.88 3.506 193 1393.68 3.488 99 1015.14 2.541 129 1007.69 2.522 299 1000.61 2.504 177 906.86 2.270 84 899.78 2.252 227 892.58 2.234 211 885.01 2.215 66 521.97 1.307 598 514.77 1.289 1000 507.69 1.271 650
in CDCl3
liquid film
