1-Butanesulfonic acid(2386-47-2) IR1
Product Name1-Butanesulfonic acid
CAS2386-47-2
Molecular FormulaC4H10O3S
Molecular Weight138.19
InChIInChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)
InChIKey QDHFHIQKOVNCNC-UHFFFAOYSA-N
SmilesC(S(O)(=O)=O)CCC
400 MHz in CDCl3
-
1H NMR 399.65 MHz C4 H10 O3 S 0.05 ml : 0.5 ml CDCl3 1-butanesulfonic acid 
Assign. Shift(ppm)
A 3.210 B 1.854 C 1.490 D 0.966
Hz ppm Int.1290.77 3.230 337 1284.42 3.214 185 1282.84 3.210 268 1281.37 3.207 185 1280.27 3.204 155 1274.90 3.191 354 756.59 1.894 89 750.37 1.878 103 749.15 1.875 159 747.44 1.871 108 743.90 1.862 121 740.97 1.855 276 737.92 1.847 117 735.96 1.842 84 733.52 1.836 193 731.45 1.831 115 725.59 1.816 100 614.50 1.538 45 607.06 1.519 175 599.49 1.501 289 592.04 1.482 295 584.59 1.463 187 577.27 1.445 57 394.17 0.987 566 389.89 0.976 63 386.84 0.968 1000 379.76 0.951 847
in CDCl3
liquid film
