CHLOROACETALDEHYDE SODIUM BISULFITE(13064-50-1) 1H NMR
Product NameCHLOROACETALDEHYDE SODIUM BISULFITE
CAS13064-50-1
Molecular FormulaC2H6ClNaO4S
Molecular Weight184.57
InChIInChI=1S/C2H5ClO4S.Na/c3-1-2(4)8(5,6)7;/h2,4H,1H2,(H,5,6,7);/q;+1/p-1
InChIKey FOSIEWVVVRVFJH-UHFFFAOYSA-M
SmilesS([O-])(=O)(=O)C(O)CCl.[Na+]
parameter in D2O
-
1H NMR 300 MHz C2 H4 Cl Na O4 S 0.044 g : 0.5 ml D2O sodium 2-chloro-1-hydroxy-1-ethanesulfonate 
Parameter ppm Hz
D(A) 4.662 D(B) *1 4.049 D(C) *1 3.740 J(A,B) 2.8 J(A,C) 9.1 J(B,C) -11.8
Hz ppm Int.1404.63 4.682 832 1401.83 4.673 859 1395.56 4.652 890 1392.75 4.642 914 1222.37 4.075 769 1219.56 4.065 756 1210.57 4.035 1000 1207.76 4.026 963 1131.99 3.773 995 1122.91 3.743 945 1120.20 3.734 790 1111.12 3.704 724
in D2O
KBr disc
nujol mull
