Sodium 2-chloroethanesulfonate monohydrate(15484-44-3) 13C NMR
Product NameSodium 2-chloroethanesulfonate monohydrate
CAS15484-44-3
Molecular FormulaC2H6ClNaO3S
Molecular Weight168.57
InChIInChI=1S/C2H5ClO3S.Na.H2O/c3-1-2-7(4,5)6;;/h1-2H2,(H,4,5,6);;1H2/q;+1;/p-1
InChIKey OSEJMOGPHHVJJG-UHFFFAOYSA-M
SmilesC(CCl)S([O-])(=O)=O.O.[Na+]
400 MHz in DMSO-d6
parameter in D2O
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1H NMR 399.65 MHz C2 H4 Cl Na O3 S 0.040 g : 0.5 ml DMSO-d6 sodium 2-chloroethanesulfonate 
Assign. Shift(ppm)
A 3.752 B 3.44 C 2.933
Hz ppm Int.1508.30 3.775 190 1504.27 3.764 46 1502.20 3.759 91 1500.49 3.755 122 1499.63 3.753 120 1497.56 3.748 91 1495.36 3.742 49 1491.70 3.733 204 1375.61 3.443 1000 1180.30 2.954 208 1176.51 2.944 50 1174.32 2.939 90 1172.24 2.934 121 1171.39 2.932 118 1169.68 2.927 86 1167.48 2.922 46 1163.70 2.912 186
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1H NMR 300 MHz C2 H4 Cl Na O3 S 0.047 g : 0.5 ml D2O sodium 2-chloroethanesulfonate Parameter ppm Hz
D(A) 3.870 D(B) 3.373 J(A,B) 6.7
Hz ppm Int.1167.85 3.893 458 1161.15 3.870 1000 1154.46 3.848 558 1018.45 3.395 556 1011.76 3.373 1000 1005.06 3.350 458
in DMSO-d6
in D2O
KBr disc
nujol mull
