ETHYLSULFURIC ACID SODIUM SALT(546-74-7) IR2
Product NameETHYLSULFURIC ACID SODIUM SALT
CAS546-74-7
Molecular FormulaC2H7NaO4S
Molecular Weight150.12
InChIInChI=1S/C2H6O4S.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1
InChIKey RRLOOYQHUHGIRJ-UHFFFAOYSA-M
SmilesO(CC)S([O-])(=O)=O.[Na+]
parameter in D2O
-
1H NMR 300 MHz C2 H5 Na O4 S 0.042 g : 0.5 ml D2O sodium ethyl sulfate 
Parameter ppm Hz
D(A) 4.104 D(B) 1.296 J(A,B) 7.1
Hz ppm Int.1241.90 4.140 164 1234.80 4.116 493 1227.72 4.092 502 1220.61 4.069 173 395.86 1.320 511 388.78 1.296 1000 381.68 1.272 492
in D2O
KBr disc
nujol mull
