Product NameDIETHYL DIETHYLMALONATE
CAS77-25-8
Molecular FormulaC11H20O4
Molecular Weight216.27
InChIInChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3
InChIKey ZKBBUZRGPULIRN-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(CC)(CC)C(OCC)=O
Mass
MS-NW-9243 diethyl diethylmalonate C11H20O4 (Mass of molecular ion: 216)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 1.0 26.0 1.5 27.0 17.1 28.0 4.9 29.0 100.0 30.0 2.5 31.0 2.8 39.0 6.5 40.0 1.4 41.0 30.4 42.0 3.7 43.0 28.6 44.0 2.1 45.0 35.3 53.0 3.8 54.0 1.3 55.0 23.4 56.0 2.4 57.0 24.1 58.0 1.2 59.0 10.2 67.0 2.7 68.0 3.1 69.0 49.8 70.0 5.2 71.0 10.2 72.0 1.0 73.0 39.9 74.0 2.0 81.0 1.6 83.0 16.7 84.0 2.9 85.0 2.9 86.0 6.9 87.0 21.4 88.0 2.4 95.0 2.2 96.0 3.5 97.0 25.6 98.0 13.8 99.0 26.6 100.0 2.8 101.0 53.5 102.0 4.4 113.0 8.1 114.0 23.9 115.0 71.8 116.0 15.2 117.0 1.5 127.0 11.4 128.0 1.8 129.0 50.9 130.0 5.3 131.0 1.6 141.0 13.9 142.0 36.2 143.0 63.5 144.0 21.1 145.0 2.7 155.0 1.0 157.0 6.5 160.0 1.8 170.0 4.4 171.0 37.9 172.0 4.0 173.0 36.5 174.0 4.6 187.0 3.8 188.0 60.8 189.0 6.7 217.0 1.1
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C11 H20 O4 | 0.04 ml : 0.5 ml CDCl3 |
diethyl diethylmalonate |
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Assign. Shift(ppm) |
Hz ppm Int.
385.25 4.302 111 378.00 4.221 434 370.88 4.142 454 363.88 4.063 133 184.56 2.061 47 183.69 2.052 47 176.38 1.970 202 168.81 1.885 253 161.94 1.809 79 161.13 1.800 76 118.50 1.324 450 115.50 1.290 23 111.50 1.245 1000 104.31 1.165 402 80.38 0.898 259 73.13 0.817 508 65.38 0.731 178
in CDCl3
liquid film
DIETHYL DIETHYLMALONATE(77-25-8) IR1 Atlas of Related Products
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