Diethyl 2-bromo-2-methylmalonate(29263-94-3) IR1
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
in CDCl3
90 MHz 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
in CDCl3
liquid film
4880 A,200 M,liquid
