Sodium dichloroacetate(2156-56-1) IR3
Molecular FormulaC2H3Cl2NaO2
Molecular Weight152.93
InChIInChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
InChIKey LUPNKHXLFSSUGS-UHFFFAOYSA-M
SmilesC([O-])(=O)C(Cl)Cl.[Na+]
-
1H NMR |
89.56 MHz |
C2 H Cl2 Na O2
|
0.041 g : 0.5 ml D2O
|
sodium dichloroacetate
|
|
Assign. Shift(ppm)
A 6.063
|
Hz ppm Int.
542.94 6.063 1000