SODIUM 4-HYDROXYBUTYRATE(502-85-2) IR2
Product NameSODIUM 4-HYDROXYBUTYRATE
CAS502-85-2
Molecular FormulaC4H9NaO3
Molecular Weight128.1
InChIInChI=1S/C4H8O3.Na/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1
InChIKey XYGBKMMCQDZQOZ-UHFFFAOYSA-M
Smiles[Na+].C([O-])(=O)CCCO
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C4 H7 Na O3 0.039 g : 0.5 ml DMSO-d6 sodium 4-hydroxybutyrate 
Assign. Shift(ppm)
A 3.391 B 2.018 C 1.587
Hz ppm Int.1404.05 3.514 426 1361.57 3.407 544 1355.47 3.392 1000 1349.37 3.377 532 813.72 2.037 392 807.01 2.020 728 800.17 2.003 463 640.87 1.604 380 634.16 1.587 520 627.69 1.571 354
in DMSO-d6
KBr disc
liquid film
nujol mull
