2-Bromo-2-methylpropionic acid(2052-01-9) MS
Product Name2-Bromo-2-methylpropionic acid
CAS2052-01-9
Molecular FormulaC4H7BrO2
Molecular Weight167
InChIInChI=1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)
InChIKey XXSPGBOGLXKMDU-UHFFFAOYSA-N
SmilesC(O)(=O)C(Br)(C)C
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MassMS-NW-5087 2-bromo-2-methylpropionic acid C4H7BrO2 (Mass of molecular ion: 166)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.0 18.0 1.7 20.0 1.0 26.0 2.5 27.0 14.1 28.0 4.7 29.0 1.5 31.0 5.5 36.0 1.1 37.0 2.7 38.0 4.6 39.0 27.4 40.0 8.7 41.0 68.9 42.0 17.3 43.0 12.9 44.0 1.7 45.0 11.8 53.0 1.1 57.0 1.1 58.0 2.5 59.0 19.6 68.0 2.1 69.0 6.9 70.0 2.1 79.0 4.4 80.0 11.5 81.0 4.3 82.0 11.1 85.0 1.0 86.0 19.0 87.0 100.0 88.0 5.4 121.0 7.8 122.0 1.1 123.0 7.7 124.0 1.0 166.0 1.8 168.0 1.6
parameter in CDCl3
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1H NMR 300 MHz C4 H7 Br O2 0.038 g : 0.5 ml CDCl3 2-bromo-2-methylpropionic acid 
Parameter ppm Hz
D(A) 1.961 D(B) 10.79
Hz ppm Int.3237.00 10.790 25 588.33 1.961 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
