Product NameDiethyl allylmalonate
CAS2049-80-1
Molecular FormulaC10H16O4
Molecular Weight200.23
InChIInChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3
InChIKey GDWAYKGILJJNBB-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(CC=C)C(OCC)=O
Mass
MS-NW-5795 diethyl allylmalonate C10H16O4 (Mass of molecular ion: 200)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.8 19.0 1.3 26.0 4.2 27.0 36.2 28.0 7.5 29.0 100.0 30.0 2.2 31.0 4.2 32.0 1.0 39.0 14.6 40.0 1.2 41.0 18.5 42.0 5.5 43.0 17.6 44.0 2.3 45.0 7.2 47.0 1.7 50.0 1.2 51.0 2.9 52.0 2.4 53.0 15.9 54.0 14.2 55.0 20.1 56.0 2.9 57.0 6.4 58.0 4.0 67.0 7.1 68.0 1.0 69.0 4.7 70.0 10.9 71.0 4.9 73.0 3.1 80.0 3.7 81.0 45.6 82.0 23.6 83.0 8.3 84.0 1.7 85.0 4.4 86.0 3.1 87.0 2.0 88.0 1.3 97.0 13.5 98.0 64.6 99.0 34.1 100.0 9.6 101.0 1.7 108.0 29.6 109.0 71.4 110.0 5.2 111.0 3.2 114.0 1.4 115.0 1.1 125.0 2.1 126.0 43.0 127.0 58.5 128.0 11.1 129.0 1.4 132.0 1.3 133.0 1.6 154.0 9.9 155.0 12.3 156.0 1.4 160.0 3.6 200.0 1.8
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C10 H16 O4 | 0.04 ml : 0.5 ml CDCl3 |
diethyl allylmalonate |
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Assign. Shift(ppm) |
Hz ppm Int.
523.13 5.842 37 515.94 5.761 45 506.13 5.652 57 499.44 5.577 31 467.19 5.217 53 466.44 5.209 55 465.25 5.195 89 463.88 5.180 45 459.19 5.128 42 458.13 5.116 78 457.13 5.105 60 456.19 5.094 48 449.75 5.022 47 448.06 5.003 84 447.25 4.994 62 446.44 4.985 63 386.69 4.318 133 379.56 4.239 450 372.44 4.159 497 365.38 4.080 176 314.13 3.508 61 306.81 3.426 87 306.19 3.419 99 299.00 3.339 96 244.50 2.731 53 243.50 2.719 83 242.38 2.707 52 236.81 2.645 123 235.88 2.634 106 229.38 2.562 60 228.25 2.549 36 120.38 1.345 521 113.38 1.266 1000 106.13 1.186 462
in CDCl3
liquid film
4880 A,200 M,liquid
Diethyl allylmalonate (2049-80-1) MS Atlas of Related Products
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