| SpectraBase Spectrum ID |
6W3zFTYxjkK |
| Name |
Butanedioic acid, 2-methyl-2-(phenylthio)-, 1-ethyl ester |
| Alternate Name(s) |
1-Ethyl hydrogen 2-methyl-2-(phenylthio)succinate
4-Ethoxy-3-methyl-4-oxo-3-(phenylsulfanyl)butanoic acid |
| CAS Registry Number |
79749-87-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O4S |
| InChI |
InChI=1S/C13H16O4S/c1-3-17-12(16)13(2,9-11(14)15)18-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,14,15) |
| InChIKey |
SMCSZZNRNNNAKG-UHFFFAOYSA-N |
| Molecular Weight |
268.327 g/mol |
| SMILES |
OC(CC(C(=O)OCC)(Sc1ccccc1)C)=O |
| SPLASH |
splash10-02bb-0930000000-d758401de23405879440 |
| Source of Spectrum |
KC-1981-2756-0 |
| Wiley ID |
1271820 |
