2-Hydroxyisobutyric acid(594-61-6) MS
Product Name2-Hydroxyisobutyric acid
CAS594-61-6
Molecular FormulaC4H8O3
Molecular Weight104.1
InChIInChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
InChIKey BWLBGMIXKSTLSX-UHFFFAOYSA-N
SmilesC(O)(=O)C(O)(C)C
-
MassMS-NW-1523 2-hydroxy-2-methylpropionic acid C4H8O3 (Mass of molecular ion: 104)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.2 15.0 7.1 18.0 1.5 26.0 1.3 27.0 4.4 28.0 2.5 29.0 3.9 31.0 35.4 38.0 1.4 39.0 7.5 40.0 1.4 41.0 21.0 42.0 3.1 43.0 45.2 44.0 1.8 45.0 4.7 47.0 2.5 58.0 1.3 59.0 100.0 60.0 3.6 61.0 1.0 86.0 1.2 89.0 2.4
90 MHz in CDCl3
-
1H NMR 89.56 MHz C4 H8 O3 0.047 g : 0.5 ml CDCl3 2-hydroxy-2-methylpropionic acid 
Assign. Shift(ppm)
A *1 7.28 B *1 7.29 C 1.497
Hz ppm Int.652.23 7.283 50 134.07 1.497 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
