| SpectraBase Spectrum ID |
4tY6DpmevqL |
| Name |
1,3-Butanediol, 2-ethyl-, 1-(4-methylbenzenesulfonate), [R-(R*,R*)]- |
| Alternate Name(s) |
(2R,3R)-2-ethyl-3-hydroxybutyl 4-methylbenzenesulfonate
2-Ethyl-3-hydroxy-1-butyl ester of p-toluolsulfonic acid |
| CAS Registry Number |
78465-03-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O4S |
| InChI |
InChI=1S/C13H20O4S/c1-4-12(11(3)14)9-17-18(15,16)13-7-5-10(2)6-8-13/h5-8,11-12,14H,4,9H2,1-3H3/t11-,12-/m1/s1 |
| InChIKey |
JHBFDEVKJJTVSB-VXGBXAGGSA-N |
| Molecular Weight |
272.359 g/mol |
| SMILES |
O[C@@]([C@@](COS(c1ccc(cc1)C)(=O)=O)(CC)[H])(C)[H] |
| SPLASH |
splash10-00dl-8900000000-cfa7439f239a82de6a51 |
| Source of Spectrum |
H-64-423-0 |
| Wiley ID |
1275866 |
![1,3-Butanediol, 2-ethyl-, 1-(4-methylbenzenesulfonate), [R-(R*,R*)]-](/api/spectrum/4tY6DpmevqL/structure.png?h=300&w=458 "1,3-Butanediol, 2-ethyl-, 1-(4-methylbenzenesulfonate), [R-(R*,R*)]-")
