5-Sulfoisophthalic acid monosodium salt(6362-79-4) 13C NMR
Product Name5-Sulfoisophthalic acid monosodium salt
CAS6362-79-4
Molecular FormulaC8H7NaO7S
Molecular Weight270.19
InChIInChI=1S/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-1
InChIKey YXTFRJVQOWZDPP-UHFFFAOYSA-M
SmilesC1(S([O-])(=O)=O)=CC(=CC(C(=O)O)=C1)C(=O)O.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C8 H5 Na O7 S 0.041 g : 0.5 ml DMSO-d6 5-sulfoisophthalic acid monosodium salt 
Assign. Shift(ppm)
A 13. B 8.467 C 8.428
Hz ppm Int.3385.82 8.472 224 3384.11 8.468 463 3382.41 8.464 313 3377.49 8.452 23 3369.16 8.431 1000 3367.45 8.426 887
in DMSO-d6
KBr disc
nujol mull
