2,4-DIMETHYLANILINE-6-SULFONIC ACID SODIUM SALT(64501-85-5) IR1
Product Name2,4-DIMETHYLANILINE-6-SULFONIC ACID SODIUM SALT
CAS64501-85-5
Molecular FormulaC8H10NNaO3S
Molecular Weight224.23
InChIInChI=1S/C8H11NO3S.Na/c1-5-3-6(2)8(9)7(4-5)13(10,11)12;/h3-4H,9H2,1-2H3,(H,10,11,12);/q;+1/p-1
InChIKey ZTJNNZNTRJTRMP-UHFFFAOYSA-M
SmilesC1(S([O-])(=O)=O)=CC(=CC(C)=C1N)C.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C8 H10 N Na O3 S 0.038 g : 0.5 ml DMSO-d6 sodium 4-amino-m-xylene-5-sulfonate 
Assign. Shift(ppm)
A 7.192 B 6.763 C 5.16 D *1 2.114 E *1 2.035
Hz ppm Int.2874.63 7.193 180 2873.05 7.189 188 2702.88 6.764 178 2702.15 6.762 180 2062.26 5.161 304 844.97 2.115 1000 813.35 2.036 976
in DMSO-d6
KBr disc
nujol mull
