Tiron(149-45-1) IR2
Molecular FormulaC6H7NaO8S2
Molecular Weight294.22
InChIInChI=1S/C6H6O8S2.2Na.H2O/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2
InChIKey ZLRROLLKQDRDPI-UHFFFAOYSA-L
SmilesC1(S([O-])(=O)=O)=C(O)C(=CC(S([O-])(=O)=O)=C1)O.O.[Na+].[Na+]
400 MHz in D2O
-
1H NMR 399.65 MHz C6 H4 Na2 O8 S2 0.046 g : 0.5 ml D2O disodium 4,5-dihydroxy-1,3-benzenedisulfonate 
Assign. Shift(ppm)
A 7.723 B 7.482 THE SOLVENT SIGNAL REMOVED. J(A,B)=2.2HZ
Hz ppm Int.3087.52 7.726 991 3085.33 7.721 994 2994.75 7.494 29 2991.33 7.485 1000 2989.14 7.480 934
KBr disc
nujol mull
