Ethyl 3-bromopropionate(539-74-2) IR1
Product NameEthyl 3-bromopropionate
CAS539-74-2
Molecular FormulaC5H9BrO2
Molecular Weight181.03
InChIInChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
InChIKey FQTIYMRSUOADDK-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCBr
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MassMS-NW-1062 ethyl 3-bromopropionate C5H9BrO2 (Mass of molecular ion: 180)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.8 18.0 1.2 26.0 9.4 27.0 56.8 28.0 18.4 29.0 100.0 30.0 2.3 31.0 4.2 41.0 3.3 42.0 2.2 43.0 5.8 44.0 1.1 45.0 20.1 55.0 12.2 56.0 2.3 59.0 1.8 73.0 27.8 74.0 1.3 101.0 19.3 102.0 1.4 106.0 1.8 107.0 37.0 108.0 4.3 109.0 35.8 110.0 2.5 135.0 28.9 136.0 1.1 137.0 27.5 138.0 1.0 152.0 55.5 153.0 3.3 154.0 54.3 155.0 3.0 180.0 3.3 182.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 Br O2 0.04 ml : 0.5 ml CDCl3 ethyl 3-bromopropionate 
Assign. Shift(ppm)
A 4.192 B 3.58 C 2.92 D 1.286
Hz ppm Int.386.38 4.315 123 379.25 4.235 366 372.13 4.156 388 365.06 4.077 138 328.69 3.671 168 327.81 3.661 156 321.69 3.592 311 321.00 3.585 471 314.94 3.517 267 314.31 3.510 239 267.44 2.987 232 267.00 2.982 215 260.75 2.912 389 260.13 2.905 272 253.94 2.836 139 253.25 2.828 123 122.06 1.363 476 114.94 1.284 1000 112.63 1.258 38 107.75 1.204 415
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
