PYRIDINE-3-SULFONIC ACID SODIUM SALT(15521-77-4) 13C NMR
Product NamePYRIDINE-3-SULFONIC ACID SODIUM SALT
CAS15521-77-4
Molecular FormulaC5H6NNaO3S
Molecular Weight183.16
InChIInChI=1S/C5H5NO3S.Na/c7-10(8,9)5-2-1-3-6-4-5;/h1-4H,(H,7,8,9);/q;+1/p-1
InChIKey CQSNULMCHIOCCX-UHFFFAOYSA-M
SmilesC1(S([O-])(=O)=O)C=NC=CC=1.[Na+]
90 MHz in D2O
-
1H NMR 89.56 MHz C5 H4 N Na O3 S 0.040 g : 0.5 ml D2O sodium 3-pyridinesulfonate 
Assign. Shift(ppm)
A 8.948 B 8.676 C 8.237 D 7.602
Hz ppm Int.803.00 8.967 899 802.19 8.958 976 800.75 8.941 1000 799.88 8.932 978 780.50 8.715 738 778.88 8.697 798 775.56 8.660 838 773.94 8.642 852 744.19 8.310 519 742.63 8.292 557 741.94 8.285 546 740.31 8.267 463 736.13 8.220 698 734.56 8.202 727 733.88 8.195 730 732.25 8.177 557 687.25 7.674 711 686.38 7.664 691 682.25 7.618 650 681.38 7.609 653 679.13 7.583 534 678.25 7.574 534 674.19 7.528 503
in D2O
KBr disc
nujol mull
