4-SULFOBENZOIC ACID MONOPOTASSIUM SALT(5399-63-3) IR2
Product Name4-SULFOBENZOIC ACID MONOPOTASSIUM SALT
CAS5399-63-3
Molecular FormulaC7H5KO5S
Molecular Weight240.27
InChIInChI=1S/C7H6O5S.K/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1
InChIKey PXRJBUPXKDXDLG-UHFFFAOYSA-M
SmilesC1(S([O-])(=O)=O)=CC=C(C(=O)O)C=C1.[K+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C7 H5 K O5 S 0.034 g : 0.5 ml DMSO-d6 p-sulfobenzoic acid monopotassium salt 
Assign. Shift(ppm)
A 13.03 B 7.934 C 7.754
Hz ppm Int.5207.61 13.031 109 3177.39 7.951 127 3175.74 7.947 763 3173.73 7.942 285 3171.34 7.936 52 3168.96 7.930 297 3167.13 7.925 1000 3165.48 7.921 208 3104.49 7.769 164 3102.84 7.764 986 3101.01 7.760 317 3096.25 7.748 276 3094.23 7.743 781 3092.58 7.739 156
in DNSO-D6
KBr disc
nujol mull
