Diethyl 2-bromo-2-methylmalonate(29263-94-3) MS
Product NameDiethyl 2-bromo-2-methylmalonate
CAS29263-94-3
Molecular FormulaC8H13BrO4
Molecular Weight253.09
InChIInChI=1S/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3
InChIKey CSLQAXTUGPUBCW-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(Br)(C)C(OCC)=O
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MassMS2014-05109CW diethyl 2-bromo-2-methylmalonate C8H13BrO4 (Mass of molecular ion: 252)
Source Temperature: 240 °C Sample Temperature: 20 °C Direct, 70 eV
15.0 1.7 16.0 1.3 17.0 15.4 18.0 2.0 26.0 4.8 27.0 29.3 28.0 18.1 29.0 61.0 30.0 1.7 31.0 2.3 32.0 4.5 41.0 2.4 42.0 1.1 43.0 24.9 44.0 4.2 45.0 6.6 52.0 1.1 53.0 2.3 54.0 3.4 55.0 10.9 56.0 7.2 57.0 4.4 71.0 1.2 72.0 8.2 73.0 22.4 74.0 9.0 75.0 1.1 80.0 2.1 81.0 1.1 82.0 3.0 83.0 17.2 84.0 1.7 85.0 1.1 99.0 8.4 100.0 9.1 101.0 8.0 102.0 8.0 105.0 1.6 106.0 6.2 107.0 5.5 108.0 6.5 109.0 4.3 110.0 1.2 123.0 9.1 125.0 8.8 126.0 1.3 127.0 6.1 128.0 6.8 129.0 15.8 130.0 1.2 133.0 4.5 134.0 30.3 135.0 9.3 136.0 30.1 137.0 5.2 146.0 1.2 147.0 3.0 151.0 15.7 152.0 100.0 153.0 19.0 154.0 98.2 155.0 3.5 174.0 1.5 179.0 15.0 180.0 58.3 181.0 18.1 182.0 56.7 183.0 3.6 207.0 12.6 208.0 1.2 209.0 12.2 210.0 1.1
90 MHz in CDCl3
in CDCl3
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1H NMR 89.56 MHz C8 H13 Br O4 0.05 ml : 0.5 ml CDCl3 diethyl 2-bromo-2-methylmalonate 
Assign. Shift(ppm)
A 4.281 B 2.079 C 1.303
Hz ppm Int.394.56 4.406 137 387.31 4.325 443 380.19 4.246 464 376.63 4.206 23 373.19 4.167 161 186.25 2.080 945 123.69 1.382 491 116.63 1.303 1000 109.50 1.223 442
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in CDCl3
liquid film
4880 A,200 M,liquid
