Methyl 2-bromopropionate(5445-17-0) MS
Product NameMethyl 2-bromopropionate
CAS5445-17-0
Molecular FormulaC4H7BrO2
Molecular Weight167
InChIInChI=1S/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H3
InChIKey ACEONLNNWKIPTM-UHFFFAOYSA-N
SmilesC(OC)(=O)C(Br)C
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MassMS-NW-5862 methyl 2-bromopropionate C4H7BrO2 (Mass of molecular ion: 166)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.7 15.0 52.8 18.0 1.5 25.0 1.9 26.0 16.5 27.0 100.0 28.0 23.9 29.0 8.8 30.0 2.3 31.0 7.8 32.0 1.4 39.0 1.0 41.0 4.6 43.0 27.5 44.0 1.0 45.0 1.6 53.0 1.4 55.0 17.9 56.0 7.2 57.0 1.0 59.0 84.8 60.0 2.2 79.0 1.8 80.0 1.4 81.0 1.8 82.0 1.3 87.0 97.5 88.0 4.6 106.0 5.0 107.0 67.3 108.0 6.5 109.0 65.7 110.0 1.9 135.0 6.5 137.0 5.9 166.0 6.0 168.0 5.5
400 MHz in CDCl3
parameter in CDCl3
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1H NMR 399.65 MHz C4 H7 Br O2 0.05 ml : 0.5 ml CDCl3 methyl 2-bromopropionate 
Assign. Shift(ppm)
A 4.401 B 3.788 C 1.831
Hz ppm Int.1769.29 4.428 96 1762.33 4.410 266 1755.37 4.393 266 1748.41 4.375 98 1514.16 3.789 1000 735.47 1.841 778 728.52 1.823 751
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1H NMR 300 MHz C4 H7 Br O2 0.04 ml : 0.5 ml CDCl3 methyl 2-bromopropionate Parameter ppm Hz
D(A) 4.381 D(B) 1.831 J(A,B) 6.95 D(C) 3.784
Hz ppm Int.1324.78 4.416 41 1317.83 4.393 123 1310.88 4.370 125 1303.95 4.346 43 1135.20 3.784 1000 552.77 1.843 504 545.81 1.819 495
in CDCl3
liquid film
4880 A,200 M,liquid
