SODIUM 3-BROMOPROPANESULFONATE(55788-44-8) 13C NMR
Product NameSODIUM 3-BROMOPROPANESULFONATE
CAS55788-44-8
Molecular FormulaC3H6BrNaO3S
Molecular Weight225.04
InChIInChI=1S/C3H7BrO3S.Na/c4-2-1-3-8(5,6)7;/h1-3H2,(H,5,6,7);/q;+1/p-1
InChIKey LNZDAVYFINUYOH-UHFFFAOYSA-M
SmilesC(CCBr)S([O-])(=O)=O.[Na+]
parameter in DMSO-d6
-
1H NMR 300 MHz C3 H6 Br Na O3 S 0.040 g : 0.5 ml DMSO-d6 sodium 3-bromo-1-propanesulfonate 
Parameter ppm Hz
D(A) 3.634 D(B) 2.584 D(C) 2.117 J(A,B) 0. J(A,C) 6.8 J(B,C) 7.3
Hz ppm Int.1097.04 3.657 488 1090.26 3.634 1000 1083.46 3.612 518 782.67 2.609 396 775.39 2.585 875 768.11 2.560 499 648.94 2.163 121 641.93 2.140 420 634.89 2.116 570 627.84 2.093 365 620.79 2.069 93
in DMSO-d6
KBr disc
nujol mull
