ALPHA-KETOBUTYRIC ACID SODIUM SALT(2013-26-5) IR1
Product NameALPHA-KETOBUTYRIC ACID SODIUM SALT
CAS2013-26-5
Molecular FormulaC4H5NaO3
Molecular Weight124.07
InChIInChI=1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
InChIKey SUAMAHKUSIHRMR-UHFFFAOYSA-M
SmilesC(=O)(CC)C([O-])=O.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C4H5NaO3 saturated in DMSO-d6 sodium 2-oxobutyrate 
Assign. Shift(ppm)
A 2.537 B 0.918
Hz ppm Int.1024.91 2.564 149 1017.58 2.546 485 1010.26 2.528 494 1004.03 2.512 151 1002.81 2.509 256 1002.32 2.508 225 374.03 0.936 493 366.70 0.918 1000 359.26 0.899 481
in DMSO-d6
KBr disk
Nujol
