Eprodisate(21668-77-9) 13C NMR
Product NameEprodisate
CAS21668-77-9
Molecular FormulaC3H8O6S2
Molecular Weight204.22
InChIInChI=1S/C3H8O6S2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H,4,5,6)(H,7,8,9)
InChIKey MGNVWUDMMXZUDI-UHFFFAOYSA-N
SmilesC(S(O)(=O)=O)CCS(O)(=O)=O
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C3 H8 O6 S2 0.05 ml : 0.5 ml DMSO-d6 1,3-propanedisulfonic acid 
Assign. Shift(ppm)
B 2.727 C 1.966
Hz ppm Int.1097.90 2.748 691 1090.33 2.729 1000 1082.64 2.709 771 1072.75 2.685 37 1072.14 2.683 36 1071.78 2.682 34 1071.29 2.681 32 1070.68 2.680 29 801.64 2.006 94 793.58 1.986 245 786.50 1.968 359 779.05 1.950 230 778.69 1.949 230 773.44 1.936 67 771.24 1.930 92
in DMSO-d6
liquid film
