Sodium 3-Chloro-2-hydroxypropanesulfonate(126-83-0) IR2
Product NameSodium 3-Chloro-2-hydroxypropanesulfonate
CAS126-83-0
Molecular FormulaC3H8ClNaO4S
Molecular Weight198.59
InChIInChI=1S/C3H7ClO4S.Na/c4-1-3(5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8);/q;+1/p-1
InChIKey TZLNJNUWVOGZJU-UHFFFAOYSA-M
SmilesS([O-])(=O)(=O)CC(O)CCl.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C3 H6 Cl Na O4 S 0.038 g : 0.5 ml DMSO-d6 sodium 3-chloro-2-hydroxy-1-propanesulfonate 
Assign. Shift(ppm)
A 5.26 B 4.038 C *1 3.799 D *1 3.619 E *2 2.755 F *2 2.644
Hz ppm Int.2104.00 5.265 997 2100.34 5.256 1000 1626.59 4.071 69 1622.92 4.061 138 1620.73 4.056 176 1619.26 4.052 126 1617.07 4.047 314 1614.14 4.039 228 1613.40 4.038 222 1610.60 4.031 319 1608.28 4.025 129 1606.93 4.021 180 1604.61 4.016 141 1600.95 4.006 76 1526.49 3.820 435 1522.71 3.811 407 1515.50 3.793 576 1511.72 3.783 519 1453.98 3.639 574 1448.00 3.624 540 1442.99 3.611 438 1437.01 3.596 400 1112.43 2.784 440 1106.57 2.769 426 1098.88 2.750 742 1093.14 2.736 715 1064.70 2.665 684 1062.01 2.658 39 1058.23 2.648 668 1051.27 2.631 410 1044.68 2.614 404
in DMSO-d6
KBr disc
nujol mull
