Sodium 4-chlorobenzene sulfinate(14752-66-0) IR1
Product NameSodium 4-chlorobenzene sulfinate
CAS14752-66-0
Molecular FormulaC6H4ClNaO2S
Molecular Weight198.6
InChIInChI=1S/C6H5ClO2S.Na/c7-5-1-3-6(4-2-5)10(8)9;/h1-4H,(H,8,9);/q;+1/p-1
InChIKey JFXAUUFCZJYLJF-UHFFFAOYSA-M
SmilesC1(=CC=C(Cl)C=C1)S([O-])=O.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6H4ClNaO2S 0.041 g : 0.5 ml DMSO-d6 sodium p-chlorobenzenesulfinate 
Assign. Shift(ppm)
A 7.529 B 7.382
Hz ppm Int.3016.97 7.547 106 3014.78 7.542 692 3012.82 7.537 270 3008.31 7.525 303 3006.35 7.520 993 3004.16 7.515 147 2956.67 7.396 165 2954.47 7.391 1000 2952.52 7.386 326 2947.88 7.374 276 2946.05 7.370 765 2943.73 7.364 104
in DMSO-d6
KBr disk
Nujol
