2-Hydroxy-2-methylbutyric acid (3739-30-8) IR1
Product Name2-Hydroxy-2-methylbutyric acid
CAS3739-30-8
Molecular FormulaC5H10O3
Molecular Weight118.13
InChIInChI=1S/C5H10O3/c1-3-5(2,8)4(6)7/h8H,3H2,1-2H3,(H,6,7)
InChIKey MBIQENSCDNJOIY-UHFFFAOYSA-N
SmilesC(O)(=O)C(O)(C)CC
-
MassMS-NW-6536 2-hydroxy-2-methylbutyric acid C5H10O3 (Mass of molecular ion: 118)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.2 15.0 7.8 17.0 1.2 18.0 4.7 19.0 3.2 26.0 3.0 27.0 17.0 28.0 4.2 29.0 25.2 31.0 11.6 39.0 7.3 41.0 7.9 42.0 4.1 43.0 71.1 44.0 4.5 45.0 16.4 47.0 3.8 50.0 1.2 51.0 1.2 53.0 2.8 54.0 1.8 55.0 56.0 56.0 3.8 57.0 13.7 58.0 1.1 61.0 3.2 72.0 2.5 73.0 100.0 74.0 5.0 75.0 1.6 82.0 1.3 85.0 1.3 89.0 5.8 90.0 1.7 100.0 2.0
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C5 H10 O3 0.048 g : 0.5 ml CDCl3 2-hydroxy-2-methylbutyric acid 
Assign. Shift(ppm)
A 7.4 B *1 1.852 C *1 1.734 D 1.470 E 0.936 J(C,B)=-14.6HZ. J(C,E)=J(B,E)=7.5HZ.
Hz ppm Int.752.45 1.883 55 744.94 1.864 67 738.53 1.848 93 731.02 1.830 91 723.51 1.811 29 710.14 1.777 28 702.63 1.759 94 695.12 1.740 108 688.52 1.723 67 687.79 1.721 53 681.20 1.705 59 587.60 1.471 1000 381.54 0.955 301 374.21 0.937 614 366.70 0.918 277
-
1H NMR 89.56 MHz C5 H10 O3 0.048 g : 0.5 ml CDCl3 2-hydroxy-2-methylbutyric acid Assign. Shift(ppm)
A 7.5 B 2.04 to 1.55 C 1.468 D 0.94
Hz ppm Int.673.17 7.517 30 166.54 1.860 68 162.70 1.817 77 160.13 1.788 39 158.85 1.774 80 155.52 1.737 95 151.50 1.692 40 148.77 1.662 54 131.76 1.472 1000 91.17 1.018 182 84.08 0.939 372 76.39 0.853 122
in CDCl3
KBr disc
nujol mull
