SODIUM ISOBUTYRATE(996-30-5) IR1
Product NameSODIUM ISOBUTYRATE
CAS996-30-5
Molecular FormulaC4H7NaO2
Molecular Weight110.09
InChIInChI=1S/C4H8O2.Na/c1-3(2)4(5)6;/h3H,1-2H3,(H,5,6);/q;+1/p-1
InChIKey TWEGKFXBDXYJIU-UHFFFAOYSA-M
SmilesC(C)(C)C([O-])=O.[Na+]
parameter in DMSO-d6
-
1H NMR 300 MHz C4 H7 Na O2 saturated in DMSO-d6 sodium isobutyrate 
Parameter ppm Hz
D(A) 2.095 D(B) 0.964 J(A,B) 6.8
Hz ppm Int.642.27 2.141 28 635.47 2.118 68 628.68 2.096 94 621.88 2.073 74 615.07 2.050 32 292.57 0.975 1000 285.78 0.953 959
in DMSO-d6
KBr disc
nujol mull
