Sodium isethionate(1562-00-1) IR1
Product NameSodium isethionate
CAS1562-00-1
Molecular FormulaC2H5NaO4S
Molecular Weight148.11
InChIInChI=1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKey LADXKQRVAFSPTR-UHFFFAOYSA-M
Smiles[Na+].[O-]S(CCO)(=O)=O
90 MHz in D2O
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1H NMR 89.56 MHz C2 H5 Na O4 S 0.040 g : 0.5 ml D2O sodium 2-hydroxy-1-ethanesulfonate 
Assign. Shift(ppm)
B 3.950 C 3.164 J(B,C)=6.5HZ THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.363.56 4.060 36 361.13 4.033 388 358.88 4.008 45 354.56 3.959 875 354.06 3.954 883 351.69 3.927 70 351.19 3.922 61 348.06 3.887 591 345.81 3.862 36 345.38 3.857 30 344.06 3.842 30 292.00 3.261 40 289.38 3.232 595 286.94 3.204 49 285.94 3.193 61 283.00 3.160 1000 280.50 3.132 58 279.94 3.126 51 279.63 3.123 46 278.94 3.115 52 278.25 3.107 59 276.50 3.088 393 275.94 3.082 349
in D2O
KBr disc
nujol mull
