2-PROPANESULFONIC ACID SODIUM SALT(5399-58-6) IR1
Product Name2-PROPANESULFONIC ACID SODIUM SALT
CAS5399-58-6
Molecular FormulaC3H7NaO3S
Molecular Weight146.14
InChIInChI=1S/C3H8O3S.Na/c1-3(2)7(4,5)6;/h3H,1-2H3,(H,4,5,6);/q;+1/p-1
InChIKey JUAHWAGHDQJOLT-UHFFFAOYSA-M
SmilesS([O-])(=O)(=O)C(C)C.[Na+]
parameter in D2O
-
1H NMR 300 MHz C3 H7 Na O3 S 0.037 g : 0.5 ml D2O sodium 2-propanesulfonate 
Parameter ppm Hz
D(A) 3.046 D(B) 1.285 J(A,B) 6.8
Hz ppm Int.927.52 3.092 29 920.72 3.069 72 913.93 3.046 97 907.12 3.024 75 900.33 3.001 32 388.88 1.296 1000 382.09 1.274 973
in D2O
KBr disc
nujol mull
