5-Sulfosalicylic acid dihydrate(5965-83-3) IR1
Product Name5-Sulfosalicylic acid dihydrate
CAS5965-83-3
Molecular FormulaC7H10O8S
Molecular Weight254.21
InChIInChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2
InChIKey BHDKTFQBRFWJKR-UHFFFAOYSA-N
SmilesS(=O)(=O)(O)C1C=CC(O)=C(C(=O)O)C=1.O.O
-
Assign. Shift(ppm)
A 8.304 B 7.925 C 7.081 THE SOLVENT SIGNAL REMOVED.Spectral Code: 1H NMR : 90 MHz in D2O
-
ppm Int. Assign.
172.10 576 1 162.97 752 2 135.05 736 3 133.70 848 4 129.27 856 5 118.71 1000 6 113.27 632 7Spectral Code: 13C NMR : in D2O
-
Spectral Code: IR : nujol mull
