Isobutyric acid(79-31-2) IR1
Product NameIsobutyric acid
CAS79-31-2
Molecular FormulaC4H8O2
Molecular Weight88.11
InChIInChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey KQNPFQTWMSNSAP-UHFFFAOYSA-N
SmilesC(O)(=O)C(C)C
-
MassMS-NW-2559 isobutyric acid C4H8O2 (Mass of molecular ion: 88)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.5 26.0 2.1 27.0 24.5 28.0 2.1 29.0 5.1 38.0 1.4 39.0 9.2 40.0 1.6 41.0 39.2 42.0 9.9 43.0 100.0 44.0 3.6 45.0 7.7 55.0 3.9 60.0 1.6 71.0 2.0 73.0 25.9 88.0 8.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C4 H8 O2 0.05 ml : 0.5 ml CDCl3 isobutyric acid 
Assign. Shift(ppm)
A 11.88 B 2.58 C 1.204
Hz ppm Int.1064.10 11.882 101 246.01 2.747 24 239.51 2.675 40 238.83 2.667 54 232.08 2.592 74 225.67 2.520 48 224.90 2.512 67 218.07 2.435 37 111.00 1.240 1000 108.86 1.216 44 106.56 1.190 28 104.08 1.163 865
in CDCl3
liquid film
