3-Bromopropionic acid(590-92-1) MS
Product Name3-Bromopropionic acid
CAS590-92-1
Molecular FormulaC3H5BrO2
Molecular Weight152.97
InChIInChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
InChIKey DHXNZYCXMFBMHE-UHFFFAOYSA-N
SmilesC(O)(=O)CCBr
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MassMS-NW-4958 3-bromopropionic acid C3H5BrO2 (Mass of molecular ion: 152)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.5 15.0 2.2 18.0 2.1 25.0 2.3 26.0 16.4 27.0 58.9 28.0 35.3 29.0 23.5 31.0 2.7 36.0 1.3 42.0 8.5 43.0 6.5 44.0 2.7 45.0 30.6 46.0 1.5 53.0 1.0 55.0 16.6 72.0 5.3 73.0 100.0 74.0 3.7 79.0 2.9 80.0 7.3 81.0 3.0 82.0 7.0 93.0 1.5 95.0 1.3 106.0 2.1 107.0 8.2 108.0 2.1 109.0 7.9 135.0 1.2 152.0 7.0 154.0 6.7
90 MHz in D2O
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1H NMR 89.56 MHz C3 H5 Br O2 0.041 g : 0.5 ml D2O 3-bromopropionic acid 
Assign. Shift(ppm)
A 3.622 B 3.006 SOLVENT PEAK REMOVED
Hz ppm Int.331.81 3.705 436 325.25 3.632 1000 319.06 3.563 732 274.69 3.068 715 268.38 2.997 991 262.19 2.928 446
in D2O
CCl4 solution
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
