SODIUM ISOVALERATE(539-66-2) IR2
Product NameSODIUM ISOVALERATE
CAS539-66-2
Molecular FormulaC5H9NaO2
Molecular Weight124.11
InChIInChI=1S/C5H10O2.Na/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);/q;+1/p-1
InChIKey JJZAWYXASMCCLB-UHFFFAOYSA-M
SmilesC(C)(C)CC([O-])=O.[Na+]
90 MHz in D2O
-
1H NMR 89.56 MHz C5 H9 Na O2 0.048 g : 0.5 ml D2O sodium isovalerate 
Assign. Shift(ppm)
A 2.05 B 1.93 C 0.92
Hz ppm Int.191.00 2.133 35 189.88 2.121 55 189.00 2.111 51 185.50 2.072 157 183.44 2.049 344 181.94 2.032 395 177.81 1.986 44 175.19 1.957 71 175.06 1.955 71 174.75 1.952 70 174.31 1.947 67 169.75 1.896 40 168.56 1.883 52 92.69 1.035 39 91.44 1.021 31 90.31 1.009 42 84.94 0.949 1000 81.63 0.912 347 78.50 0.877 799 74.25 0.830 36 73.63 0.823 32 70.81 0.791 31
in D2O
KBr disc
nujol mull
