1,3-PROPANEDISULFONIC ACID DISODIUM SALT(36589-58-9) IR2
Product Name1,3-PROPANEDISULFONIC ACID DISODIUM SALT
CAS36589-58-9
Molecular FormulaC3H6Na2O6S2
Molecular Weight248.19
InChIInChI=1S/C3H8O6S2.2Na/c4-10(5,6)2-1-3-11(7,8)9;;/h1-3H2,(H,4,5,6)(H,7,8,9);;/q;2*+1/p-2
InChIKey DKGJFKPIUSHDIT-UHFFFAOYSA-L
Smiles[Na+].[Na+].C(S([O-])(=O)=O)CCS([O-])(=O)=O
400 MHz in D2O
-
1H NMR 399.65 MHz C3 H6 Na2 O6 S2 0.046 g : 0.5 ml D2O disodium 1,3-propanedisulfonate 
Assign. Shift(ppm)
A 3.068 B 2.182
Hz ppm Int.1240.97 3.106 26 1236.94 3.096 73 1233.15 3.086 892 1227.05 3.071 524 1225.46 3.067 1000 1223.63 3.062 462 1217.77 3.048 970 1208.86 3.025 26 887.21 2.220 127 881.35 2.206 163 879.39 2.201 252 877.81 2.197 177 874.51 2.189 179 871.70 2.182 441 869.26 2.176 178 865.97 2.167 165 864.01 2.162 221 862.30 2.158 156 856.32 2.143 111
in D2O
KBr disc
nujol mull
