2-Methyl butyric acid(116-53-0) 1H NMR
Product Name2-Methyl butyric acid
CAS116-53-0
Molecular FormulaC5H10O2
Molecular Weight102.13
InChIInChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey WLAMNBDJUVNPJU-UHFFFAOYSA-N
SmilesC(O)(=O)C(C)CC
-
MassMS-NW-1414 (+-)-2-methylbutyric acid C5H10O2 (Mass of molecular ion: 102)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.8 18.0 1.6 26.0 3.8 27.0 23.5 28.0 10.5 29.0 57.5 30.0 3.9 31.0 1.7 38.0 1.3 39.0 12.0 40.0 1.5 41.0 53.9 42.0 3.2 43.0 3.7 45.0 8.8 50.0 1.0 51.0 1.1 53.0 1.6 55.0 7.7 56.0 10.5 57.0 83.4 58.0 4.0 59.0 1.8 60.0 1.2 69.0 4.1 73.0 14.8 74.0 100.0 75.0 3.7 85.0 1.5 87.0 25.0 88.0 1.1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C5 H10 O2 0.04 ml : 0.5 ml CDCl3 (+-)-2-methylbutyric acid 
Assign. Shift(ppm)
A 11.5 B 2.40 C 2.00 to 1.32 D 1.183 E 0.95
Hz ppm Int.226.10 2.525 51 219.09 2.447 104 212.34 2.371 126 205.51 2.295 86 157.65 1.761 49 156.46 1.747 83 150.31 1.679 44 149.45 1.669 82 148.77 1.662 102 147.66 1.649 53 146.55 1.637 78 141.76 1.583 127 141.08 1.576 59 140.73 1.572 58 139.79 1.561 95 139.37 1.557 99 134.75 1.505 55 132.70 1.482 127 126.21 1.410 60 109.12 1.219 1000 102.11 1.141 832 92.80 1.037 144 92.03 1.028 305 91.35 1.020 221 84.59 0.945 582 82.20 0.918 71 78.19 0.874 96 77.42 0.865 185 76.31 0.853 120
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
