2-Bromopropionic acid(598-72-1) IR2
Product Name2-Bromopropionic acid
CAS598-72-1
Molecular FormulaC3H5BrO2
Molecular Weight152.97
InChIInChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKey MONMFXREYOKQTI-UHFFFAOYSA-N
SmilesC(O)(=O)C(Br)C
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MassMS-NW-8494 2-bromopropionic acid C3H5BrO2 (Mass of molecular ion: 152)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
14.0 1.1 15.0 2.0 18.0 1.3 25.0 2.8 26.0 24.7 27.0 90.4 28.0 64.5 29.0 100.0 30.0 2.9 31.0 2.0 41.0 1.0 42.0 1.3 43.0 8.4 44.0 4.2 45.0 45.7 46.0 1.3 53.0 1.8 55.0 14.5 56.0 6.3 57.0 1.1 64.0 1.0 72.0 1.2 73.0 38.5 74.0 3.0 79.0 4.0 80.0 4.9 81.0 4.1 82.0 4.7 106.0 1.6 107.0 16.3 108.0 30.2 109.0 16.1 110.0 27.8 111.0 1.1 152.0 5.5 154.0 5.3
parameter in CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C3 H5 Br O2 0.04 ml : 0.5 ml CDCl3 2-bromopropionic acid 
Parameter ppm Hz
D(A) 11.50 D(B) 4.407 D(C) 1.855 J(B,C) 6.9
Hz ppm Int.3450.03 11.500 192 1332.46 4.442 81 1325.68 4.419 246 1318.72 4.396 250 1311.86 4.373 86 559.96 1.867 1000 553.09 1.844 982
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1H NMR 89.56 MHz C3 H5 Br O2 0.04 ml : 0.5 ml CDCl3 2-bromopropionic acid Assign. Shift(ppm)
A 11.50 B 4.407 C 1.855 J(B,C)=6.9HZ.
Hz ppm Int.1030.00 11.501 146 405.54 4.529 80 398.54 4.450 241 391.61 4.373 246 384.69 4.296 93 169.53 1.893 1000 167.14 1.867 24 162.61 1.816 936
in CDCl3
CCl4 solution
liquid film
