2,3-Dibromopropionic acid(600-05-5) MS
Product Name2,3-Dibromopropionic acid
CAS600-05-5
Molecular FormulaC3H4Br2O2
Molecular Weight231.87
InChIInChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChIKey ZMYAKSMZTVWUJB-UHFFFAOYSA-N
SmilesC(O)(=O)C(Br)CBr
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MassMS-NW-8809 2,3-dibromopropionic acid C3H4Br2O2 (Mass of molecular ion: 230)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.4 15.0 2.1 18.0 2.8 25.0 7.1 26.0 38.1 27.0 100.0 28.0 8.7 29.0 3.1 36.0 1.0 41.0 1.5 42.0 5.5 43.0 7.7 44.0 21.0 45.0 31.7 46.0 1.0 53.0 8.5 54.0 3.7 55.0 19.1 56.0 1.4 71.0 64.2 72.0 27.2 73.0 2.3 79.0 9.4 80.0 21.6 81.0 9.6 82.0 21.1 93.0 1.5 95.0 1.0 104.0 2.4 105.0 21.5 106.0 30.3 107.0 24.1 108.0 27.2 109.0 3.8 120.0 1.4 122.0 2.0 123.0 1.2 125.0 1.1 133.0 9.2 135.0 9.1 150.0 54.4 151.0 50.5 152.0 54.6 153.0 48.2 154.0 1.9 185.0 1.1 187.0 2.1 189.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H4 Br2 O2 0.048 g : 0.5 ml CDCl3 2,3-dibromopropionic acid 
Assign. Shift(ppm)
A 10.90 B 4.490 C *1 3.909 D *1 3.706 J(B,D)=4.9HZ. J(B,C)=10.7HZ. J(C,D)=-10.0HZ.
Hz ppm Int.976.43 10.903 741 411.01 4.590 470 406.14 4.535 660 400.33 4.470 706 395.46 4.416 819 393.49 4.394 32 361.54 4.037 526 351.54 3.926 1000 340.94 3.807 778 337.18 3.765 892 332.40 3.712 882 327.27 3.655 433 322.40 3.600 307
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
